2-[(4-chlorophenyl)amino]-4-(3-methoxy-4-phenylmethoxy-phenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)amino]-4-(3-methoxy-4-phenylmethoxy-phenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carbonitrile Openeye Name: 4-(4-benzyloxy-3-methoxy-phenyl)-2-(4-chloroanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-chloroanilino)-4-(3-methoxy-4-phenylmethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-chloroanilino)-4-(3-methoxy-4-phenylmethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carbonitrile Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-2-(4-chloroanilino)-6-keto-4,5-dihydro-1H-pyrimidine-5-carbonitrile Formula: C25H21ClN4O3 MolecularWeight: 460.91224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=O)NC(=N2)NC3=CC=C(C=C3)Cl)C#N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(C(=O)NC(=N2)NC3=CC=C(C=C3)Cl)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21ClN4O3/c1-32-22-13-17(7-12-21(22)33-15-16-5-3-2-4-6-16)23-20(14-27)24(31)30-25(29-23)28-19-10-8-18(26)9-11-19/h2-13,20,23H,15H2,1H3,(H2,28,29,30,31)