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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N(C)C2=C(C(=O)N=C(N2)CC3=CC=C(C=C3)C#N)Br)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1N(C)C2=C(C(=O)N=C(N2)CC3=CC=C(C=C3)C#N)Br)C)C#N

InChI

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