1-methyl-4-[4-(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(7-methyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(7-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-(4-keto-7-methyl-pyrido[1,2-a]pyrimidine-3-carbonyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C20H22N6O5S MolecularWeight: 458.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC=C(C2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC=C(C2=O)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)C=C1

InChI

InChI=1S/C20H22N6O5S/c1-13-3-4-17-22-10-15(20(29)26(17)11-13)19(28)24-5-7-25(8-6-24)32(30,31)14-9-16(18(21)27)23(2)12-14/h3-4,9-12H,5-8H2,1-2H3,(H2,21,27)