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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methylpropyl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-benzamide Formula: C25H36N6O6S MolecularWeight: 548.65494

Click to see the large picture

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)N3CCN(CC3)C(=O)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C)N

InChI

InChI=1S/C25H36N6O6S/c1-5-6-10-30-22(26)21(23(33)27-25(30)35)31(16-17(2)3)24(34)19-8-7-9-20(15-19)38(36,37)29-13-11-28(12-14-29)18(4)32/h7-9,15,17H,5-6,10-14,16,26H2,1-4H3,(H,27,33,35)