N-(3-nitrophenyl)-3-phenethyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: N-(3-nitrophenyl)-3-phenethyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: N-(3-nitrophenyl)-3-phenethyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: N-(3-nitrophenyl)-3-phenethyl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: N-(3-nitrophenyl)-3-phenethyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: (3-nitrophenyl)-(3-phenethyltriazolo[4,5-d]pyrimidin-7-yl)amine Formula: C18H15N7O2 MolecularWeight: 361.3574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-])N=N2

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-])N=N2

InChI

InChI=1S/C18H15N7O2/c26-25(27)15-8-4-7-14(11-15)21-17-16-18(20-12-19-17)24(23-22-16)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,19,20,21)