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

Systemtic Name: 4-[[2-[(4-cyanophenyl)methyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl]-methyl-amino]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[2-[(4-cyanophenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]-methyl-amino]-3,5-dimethyl-benzonitrile CAS Name: 4-[[2-[(4-cyanophenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]-methylamino]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[2-[(4-cyanophenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]-methylamino]-3,5-dimethylbenzonitrile Traditional Name: 4-[[2-(4-cyanobenzyl)-4-keto-5-methyl-1H-pyrimidin-6-yl]-methyl-amino]-3,5-dimethyl-benzonitrile Formula: C23H21N5O MolecularWeight: 383.44574

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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)C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O/c1-14-9-19(13-25)10-15(2)21(14)28(4)22-16(3)23(29)27-20(26-22)11-17-5-7-18(12-24)8-6-17/h5-10H,11H2,1-4H3,(H,26,27,29)