N4-(3-phenethyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)benzene-1,4-diamine

Systemtic Name: N4-(3-phenethyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)benzene-1,4-diamine Openeye Name: N4-(3-phenethyltriazolo[4,5-d]pyrimidin-7-yl)benzene-1,4-diamine CAS Name: N4-(3-phenethyl-7-triazolo[4,5-d]pyrimidinyl)benzene-1,4-diamine IUPAC Name: 4-N-(3-phenethyltriazolo[4,5-d]pyrimidin-7-yl)benzene-1,4-diamine Traditional Name: (4-aminophenyl)-(3-phenethyltriazolo[4,5-d]pyrimidin-7-yl)amine Formula: C18H17N7 MolecularWeight: 331.37448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)NC4=CC=C(C=C4)N)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)NC4=CC=C(C=C4)N)N=N2

InChI

InChI=1S/C18H17N7/c19-14-6-8-15(9-7-14)22-17-16-18(21-12-20-17)25(24-23-16)11-10-13-4-2-1-3-5-13/h1-9,12H,10-11,19H2,(H,20,21,22)