ethyl 7-methyl-4-oxidanylidene-3-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 7-methyl-4-oxidanylidene-3-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 7-methyl-4-oxo-3-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 7-methyl-4-oxo-3-phenyl-2-[3-(4-phenyl-1-piperazinyl)propylthio]-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-4-oxo-3-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-7-methyl-3-phenyl-2-[3-(4-phenylpiperazino)propylthio]pyrido[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C30H33N5O3S MolecularWeight: 543.67972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H33N5O3S/c1-3-38-29(37)25-21-22(2)31-27-26(25)28(36)35(24-13-8-5-9-14-24)30(32-27)39-20-10-15-33-16-18-34(19-17-33)23-11-6-4-7-12-23/h4-9,11-14,21H,3,10,15-20H2,1-2H3