N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-1-(2-thienylsulfonyl)isonipecotamide Formula: C23H35N5O5S2 MolecularWeight: 525.6845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N5O5S2/c1-4-5-11-28-20(24)19(21(29)25-23(28)31)27(14-8-16(2)3)22(30)17-9-12-26(13-10-17)35(32,33)18-7-6-15-34-18/h6-7,15-17H,4-5,8-14,24H2,1-3H3,(H,25,29,31)