1-(2-chloroethyl)-2,4-bis(4-methylphenyl)-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 1-(2-chloroethyl)-2,4-bis(4-methylphenyl)-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-(2-chloroethyl)-6-oxo-2,4-bis(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 1-(2-chloroethyl)-2,4-bis(4-methylphenyl)-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 1-(2-chloroethyl)-2,4-bis(4-methylphenyl)-6-oxopyrimidine-5-carbonitrile Traditional Name: 1-(2-chloroethyl)-6-keto-2,4-bis(p-tolyl)pyrimidine-5-carbonitrile Formula: C21H18ClN3O MolecularWeight: 363.84012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)C3=CC=C(C=C3)C)CCCl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)C3=CC=C(C=C3)C)CCCl)C#N

InChI

InChI=1S/C21H18ClN3O/c1-14-3-7-16(8-4-14)19-18(13-23)21(26)25(12-11-22)20(24-19)17-9-5-15(2)6-10-17/h3-10H,11-12H2,1-2H3