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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H32ClN5O5S/c1-4-5-12-28(19-20(25)29(14-15(2)3)23(32)26-21(19)30)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)