N-ethyl-4-[7-[methyl-(2-phenylcyclopropyl)amino]-5-methylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)cyclopentane-1-carboxamide

Systemtic Name: N-ethyl-4-[7-[methyl-(2-phenylcyclopropyl)amino]-5-methylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)cyclopentane-1-carboxamide Openeye Name: N-ethyl-2,3-dihydroxy-4-[7-[methyl-(2-phenylcyclopropyl)amino]-5-methylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]cyclopentanecarboxamide CAS Name: N-ethyl-2,3-dihydroxy-4-[7-[methyl-(2-phenylcyclopropyl)amino]-5-(methylthio)-3-triazolo[4,5-d]pyrimidinyl]-1-cyclopentanecarboxamide IUPAC Name: N-ethyl-2,3-dihydroxy-4-[7-[methyl-(2-phenylcyclopropyl)amino]-5-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1-carboxamide Traditional Name: N-ethyl-2,3-dihydroxy-4-[7-[methyl-(2-phenylcyclopropyl)amino]-5-(methylthio)triazolo[4,5-d]pyrimidin-3-yl]cyclopentanecarboxamide Formula: C23H29N7O3S MolecularWeight: 483.58646

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(C(C1O)O)N2C3=C(C(=NC(=N3)SC)N(C)C4CC4C5=CC=CC=C5)N=N2

Isomeric SMILES

CCNC(=O)C1CC(C(C1O)O)N2C3=C(C(=NC(=N3)SC)N(C)C4CC4C5=CC=CC=C5)N=N2

InChI

InChI=1S/C23H29N7O3S/c1-4-24-22(33)14-11-16(19(32)18(14)31)30-21-17(27-28-30)20(25-23(26-21)34-3)29(2)15-10-13(15)12-8-6-5-7-9-12/h5-9,13-16,18-19,31-32H,4,10-11H2,1-3H3,(H,24,33)