4-[1-[5-bromanyl-2-[(4-cyanophenyl)amino]-4-oxidanylidene-1H-pyrimidin-6-yl]ethyl]-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[1-[5-bromanyl-2-[(4-cyanophenyl)amino]-4-oxidanylidene-1H-pyrimidin-6-yl]ethyl]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[1-[5-bromo-2-(4-cyanoanilino)-4-oxo-1H-pyrimidin-6-yl]ethyl]-3,5-dimethyl-benzonitrile CAS Name: 4-[1-[5-bromo-2-(4-cyanoanilino)-4-oxo-1H-pyrimidin-6-yl]ethyl]-3,5-dimethylbenzonitrile IUPAC Name: 4-[1-[5-bromo-2-(4-cyanoanilino)-4-oxo-1H-pyrimidin-6-yl]ethyl]-3,5-dimethylbenzonitrile Traditional Name: 4-[1-[5-bromo-2-(4-cyanoanilino)-4-keto-1H-pyrimidin-6-yl]ethyl]-3,5-dimethyl-benzonitrile Formula: C22H18BrN5O MolecularWeight: 448.31522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(C)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)C#N)Br)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1C(C)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)C#N)Br)C)C#N

InChI

InChI=1S/C22H18BrN5O/c1-12-8-16(11-25)9-13(2)18(12)14(3)20-19(23)21(29)28-22(27-20)26-17-6-4-15(10-24)5-7-17/h4-9,14H,1-3H3,(H2,26,27,28,29)