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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-methyl-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-[(2-keto-2-pyrrolidino-ethyl)thio]-N-methyl-benzamide Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)N

InChI

InChI=1S/C22H29N5O4S/c1-3-4-13-27-19(23)18(20(29)24-22(27)31)25(2)21(30)15-9-5-6-10-16(15)32-14-17(28)26-11-7-8-12-26/h5-6,9-10H,3-4,7-8,11-14,23H2,1-2H3,(H,24,29,31)