methyl 5-[4-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CN3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CN3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC)C=C1

InChI

InChI=1S/C20H22N4O5S2/c1-14-3-4-17-21-16(10-18(25)24(17)11-14)12-22-5-7-23(8-6-22)31(27,28)19-9-15(13-30-19)20(26)29-2/h3-4,9-11,13H,5-8,12H2,1-2H3