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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-methyl-N-(3-methylbutyl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-methyl-N-(3-methylbutyl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(3-methylbutyl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-4-methyl-3-piperidinosulfonyl-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)C)S(=O)(=O)N3CCCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)N

InChI

InChI=1S/C26H39N5O5S/c1-5-6-15-31-23(27)22(24(32)28-26(31)34)30(16-12-18(2)3)25(33)20-11-10-19(4)21(17-20)37(35,36)29-13-8-7-9-14-29/h10-11,17-18H,5-9,12-16,27H2,1-4H3,(H,28,32,34)