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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-chloranyl-N-(2-methylpropyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-chloro-N-isobutyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-chloro-N-(2-methylpropyl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-(2-methylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-chloro-N-isobutyl-3-pyrrolidinosulfonyl-benzamide Formula: C23H32ClN5O5S MolecularWeight: 526.04868

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(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)N

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClN5O5S/c1-4-5-12-28-20(25)19(21(30)26-23(28)32)29(14-15(2)3)22(31)16-8-9-17(24)18(13-16)35(33,34)27-10-6-7-11-27/h8-9,13,15H,4-7,10-12,14,25H2,1-3H3,(H,26,30,32)