3-cyclopent-3-en-1-yl-N-(2-phenylcyclopropyl)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: 3-cyclopent-3-en-1-yl-N-(2-phenylcyclopropyl)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-cyclopent-3-en-1-yl-N-(2-phenylcyclopropyl)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-(1-cyclopent-3-enyl)-N-(2-phenylcyclopropyl)-5-(propylthio)-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-cyclopent-3-en-1-yl-N-(2-phenylcyclopropyl)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: [3-cyclopent-3-en-1-yl-5-(propylthio)triazolo[4,5-d]pyrimidin-7-yl]-(2-phenylcyclopropyl)amine Formula: C21H24N6S MolecularWeight: 392.52046

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NC3CC3C4=CC=CC=C4)N=NN2C5CC=CC5

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NC3CC3C4=CC=CC=C4)N=NN2C5CC=CC5

InChI

InChI=1S/C21H24N6S/c1-2-12-28-21-23-19(22-17-13-16(17)14-8-4-3-5-9-14)18-20(24-21)27(26-25-18)15-10-6-7-11-15/h3-9,15-17H,2,10-13H2,1H3,(H,22,23,24)