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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-methyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C20H27N5O5S MolecularWeight: 449.52388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)N

InChI

InChI=1S/C20H27N5O5S/c1-3-4-12-25-17(21)16(18(26)22-20(25)28)23(2)19(27)14-8-7-9-15(13-14)31(29,30)24-10-5-6-11-24/h7-9,13H,3-6,10-12,21H2,1-2H3,(H,22,26,28)