3-heptan-4-yl-5-methyl-N-(2-methylsulfanyl-4-propan-2-yl-phenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: 3-heptan-4-yl-5-methyl-N-(2-methylsulfanyl-4-propan-2-yl-phenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: N-(4-isopropyl-2-methylsulfanyl-phenyl)-5-methyl-3-(1-propylbutyl)triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-heptan-4-yl-5-methyl-N-[2-(methylthio)-4-propan-2-ylphenyl]-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-heptan-4-yl-5-methyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine Traditional Name: [4-isopropyl-2-(methylthio)phenyl]-[5-methyl-3-(1-propylbutyl)triazolo[4,5-d]pyrimidin-7-yl]amine Formula: C22H32N6S MolecularWeight: 412.59468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C2=C(C(=NC(=N2)C)NC3=C(C=C(C=C3)C(C)C)SC)N=N1

Isomeric SMILES

CCCC(CCC)N1C2=C(C(=NC(=N2)C)NC3=C(C=C(C=C3)C(C)C)SC)N=N1

InChI

InChI=1S/C22H32N6S/c1-7-9-17(10-8-2)28-22-20(26-27-28)21(23-15(5)24-22)25-18-12-11-16(14(3)4)13-19(18)29-6/h11-14,17H,7-10H2,1-6H3,(H,23,24,25)