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

Systemtic Name: 2-azanyl-4-[(phenylmethyl)amino]-3-pyrimidin-2-yl-benzenecarbonitrile Openeye Name: 2-amino-4-(benzylamino)-3-pyrimidin-2-yl-benzonitrile CAS Name: 2-amino-4-[(phenylmethyl)amino]-3-(2-pyrimidinyl)benzonitrile IUPAC Name: 2-amino-4-(benzylamino)-3-pyrimidin-2-ylbenzonitrile Traditional Name: 2-amino-4-(benzylamino)-3-(2-pyrimidyl)benzonitrile Formula: C18H15N5 MolecularWeight: 301.3452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3

InChI

InChI=1S/C18H15N5/c19-11-14-7-8-15(23-12-13-5-2-1-3-6-13)16(17(14)20)18-21-9-4-10-22-18/h1-10,23H,12,20H2