ethyl 9-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylsulfanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 9-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylsulfanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 9-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]sulfanyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate CAS Name: 9-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]thio]-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 9-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]sulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate Traditional Name: 4-keto-9-[(4-piperonylpiperazine-1-carbonyl)thio]pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C24H24N4O6S MolecularWeight: 496.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=CC=CN2C1=O)SC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=CC=CN2C1=O)SC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N4O6S/c1-2-32-23(30)17-13-25-21-20(4-3-7-28(21)22(17)29)35-24(31)27-10-8-26(9-11-27)14-16-5-6-18-19(12-16)34-15-33-18/h3-7,12-13H,2,8-11,14-15H2,1H3