3-(5-azanyl-7-oxidanylidene-3H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2,2-bis(hydroxymethyl)butyl]benzamide

Systemtic Name: 3-(5-azanyl-7-oxidanylidene-3H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2,2-bis(hydroxymethyl)butyl]benzamide Openeye Name: 3-(5-amino-7-oxo-3H-triazolo[4,5-d]pyrimidin-2-yl)-N-[2,2-bis(hydroxymethyl)butyl]benzamide CAS Name: 3-(5-amino-7-oxo-3H-triazolo[4,5-d]pyrimidin-2-yl)-N-[2,2-bis(hydroxymethyl)butyl]benzamide IUPAC Name: 3-(5-amino-7-oxo-3H-triazolo[4,5-d]pyrimidin-2-yl)-N-[2,2-bis(hydroxymethyl)butyl]benzamide Traditional Name: 3-(5-amino-7-keto-3H-triazolo[4,5-d]pyrimidin-2-yl)-N-(2,2-dimethylolbutyl)benzamide Formula: C17H21N7O4 MolecularWeight: 387.39314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC(=CC=C1)N2NC3=NC(=NC(=O)C3=N2)N)(CO)CO

Isomeric SMILES

CCC(CNC(=O)C1=CC(=CC=C1)N2NC3=NC(=NC(=O)C3=N2)N)(CO)CO

InChI

InChI=1S/C17H21N7O4/c1-2-17(8-25,9-26)7-19-14(27)10-4-3-5-11(6-10)24-22-12-13(23-24)20-16(18)21-15(12)28/h3-6,25-26H,2,7-9H2,1H3,(H,19,27)(H3,18,20,21,23,28)