2-azanyl-4-[(4-cyanophenyl)amino]-3-pyrimidin-4-yl-benzenecarbonitrile

Systemtic Name: 2-azanyl-4-[(4-cyanophenyl)amino]-3-pyrimidin-4-yl-benzenecarbonitrile Openeye Name: 2-amino-4-(4-cyanoanilino)-3-pyrimidin-4-yl-benzonitrile CAS Name: 2-amino-4-(4-cyanoanilino)-3-(4-pyrimidinyl)benzonitrile IUPAC Name: 2-amino-4-(4-cyanoanilino)-3-pyrimidin-4-ylbenzonitrile Traditional Name: 2-amino-4-(4-cyanoanilino)-3-(4-pyrimidyl)benzonitrile Formula: C18H12N6 MolecularWeight: 312.32808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=C(C(=C(C=C2)C#N)N)C3=NC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=C(C(=C(C=C2)C#N)N)C3=NC=NC=C3

InChI

InChI=1S/C18H12N6/c19-9-12-1-4-14(5-2-12)24-16-6-3-13(10-20)18(21)17(16)15-7-8-22-11-23-15/h1-8,11,24H,21H2