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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(azepan-1-ylsulfonyl)-N-(2-methylpropyl)benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(azepan-1-ylsulfonyl)-N-isobutyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(1-azepanylsulfonyl)-N-(2-methylpropyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(azepan-1-ylsulfonyl)-N-(2-methylpropyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(azepan-1-ylsulfonyl)-N-isobutyl-benzamide Formula: C25H37N5O5S MolecularWeight: 519.65678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N

InChI

InChI=1S/C25H37N5O5S/c1-4-5-15-29-22(26)21(23(31)27-25(29)33)30(17-18(2)3)24(32)19-11-10-12-20(16-19)36(34,35)28-13-8-6-7-9-14-28/h10-12,16,18H,4-9,13-15,17,26H2,1-3H3,(H,27,31,33)