3-butyl-5-phenyl-N-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: 3-butyl-5-phenyl-N-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: N-benzyl-3-butyl-5-phenyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-butyl-5-phenyl-N-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: N-benzyl-3-butyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: benzyl-(3-butyl-5-phenyl-triazolo[4,5-d]pyrimidin-7-yl)amine Formula: C21H22N6 MolecularWeight: 358.43958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CC=C4)N=N1

Isomeric SMILES

CCCCN1C2=C(C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CC=C4)N=N1

InChI

InChI=1S/C21H22N6/c1-2-3-14-27-21-18(25-26-27)20(22-15-16-10-6-4-7-11-16)23-19(24-21)17-12-8-5-9-13-17/h4-13H,2-3,14-15H2,1H3,(H,22,23,24)