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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methylpropyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methylpropyl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H33N5O5S2 MolecularWeight: 511.65792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)N

InChI

InChI=1S/C22H33N5O5S2/c1-4-5-10-26-19(23)18(20(28)24-22(26)30)27(14-15(2)3)21(29)16-8-11-25(12-9-16)34(31,32)17-7-6-13-33-17/h6-7,13,15-16H,4-5,8-12,14,23H2,1-3H3,(H,24,28,30)