ethyl 2-[(4-cyanophenyl)methylsulfanyl]-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(4-cyanophenyl)methylsulfanyl]-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-[(4-cyanophenyl)methylsulfanyl]-4-(2-methoxy-1-naphthyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-[(4-cyanophenyl)methylthio]-4-(2-methoxy-1-naphthalenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyanophenyl)methylsulfanyl]-4-(2-methoxynaphthalen-1-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-[(4-cyanobenzyl)thio]-4-(2-methoxy-1-naphthyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=C(C=CC3=CC=CC=C32)OC)SCC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=C(C=CC3=CC=CC=C32)OC)SCC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H25N3O3S/c1-4-33-26(31)23-17(2)29-27(34-16-19-11-9-18(15-28)10-12-19)30-25(23)24-21-8-6-5-7-20(21)13-14-22(24)32-3/h5-14,25H,4,16H2,1-3H3,(H,29,30)