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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-5-(azepan-1-ylsulfonyl)-N-butyl-2-methoxy-benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-5-(azepan-1-ylsulfonyl)-N-butyl-2-methoxy-benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-5-(1-azepanylsulfonyl)-N-butyl-2-methoxybenzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(azepan-1-ylsulfonyl)-N-butyl-2-methoxybenzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-5-(azepan-1-ylsulfonyl)-N-butyl-2-methoxy-benzamide Formula: C25H37N5O6S MolecularWeight: 535.65618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C25H37N5O6S/c1-4-6-16-29(21-22(26)30(13-5-2)25(33)27-23(21)31)24(32)19-17-18(11-12-20(19)36-3)37(34,35)28-14-9-7-8-10-15-28/h11-12,17H,4-10,13-16,26H2,1-3H3,(H,27,31,33)