ZSG
(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
Created: | 2021-05-28 |
Last modified: | 2021-09-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 46 |
Chiral Atom Count | 0 |
Bond Count | 48 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide |
Systematic Name (OpenEye OEToolkits) | 5-(2-azanylpyrimidin-4-yl)-~{N}-[2-(dimethylamino)ethyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-2-carboxamide |
Formula | C15 H22 N8 O |
Molecular Weight | 330.388 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1 |
SMILES | CACTVS | 3.385 | CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N |
Canonical SMILES | CACTVS | 3.385 | CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N |
InChI | InChI | 1.03 | InChI=1S/C15H22N8O/c1-21(2)6-5-17-14(24)12-9-11-10-22(7-8-23(11)20-12)13-3-4-18-15(16)19-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,24)(H2,16,18,19) |
InChIKey | InChI | 1.03 | SOQWCHRGAQNWSN-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 56752963 |