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

Systemtic Name: ethyl 3,7-dimethyl-4-oxidanylidene-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 3,7-dimethyl-4-oxo-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 3,7-dimethyl-4-oxo-2-[3-(4-phenyl-1-piperazinyl)propylthio]-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3,7-dimethyl-4-oxo-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-3,7-dimethyl-2-[3-(4-phenylpiperazino)propylthio]pyrido[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C25H31N5O3S MolecularWeight: 481.61034

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O3S/c1-4-33-24(32)20-17-18(2)26-22-21(20)23(31)28(3)25(27-22)34-16-8-11-29-12-14-30(15-13-29)19-9-6-5-7-10-19/h5-7,9-10,17H,4,8,11-16H2,1-3H3