N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-1-tosyl-isonipecotamide Formula: C25H37N5O5S MolecularWeight: 519.65678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H37N5O5S/c1-5-6-13-29(21-22(26)30(16-17(2)3)25(33)27-23(21)31)24(32)19-11-14-28(15-12-19)36(34,35)20-9-7-18(4)8-10-20/h7-10,17,19H,5-6,11-16,26H2,1-4H3,(H,27,31,33)