N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-4-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-4-(4-methylpiperidino)sulfonyl-benzamide Formula: C26H39N5O5S MolecularWeight: 533.68336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)N

InChI

InChI=1S/C26H39N5O5S/c1-5-6-14-31-23(27)22(24(32)28-26(31)34)30(17-11-18(2)3)25(33)20-7-9-21(10-8-20)37(35,36)29-15-12-19(4)13-16-29/h7-10,18-19H,5-6,11-17,27H2,1-4H3,(H,28,32,34)