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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-chloranyl-N-(2-methylpropyl)-5-methylsulfanyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-chloro-N-isobutyl-5-methylsulfanyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-N-(2-methylpropyl)-5-(methylthio)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methylpropyl)-5-methylsulfanylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-chloro-N-isobutyl-5-(methylthio)benzamide Formula: C20H27ClN4O3S MolecularWeight: 438.97138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=C(C=CC(=C2)SC)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=C(C=CC(=C2)SC)Cl)N

InChI

InChI=1S/C20H27ClN4O3S/c1-5-6-9-24-17(22)16(18(26)23-20(24)28)25(11-12(2)3)19(27)14-10-13(29-4)7-8-15(14)21/h7-8,10,12H,5-6,9,11,22H2,1-4H3,(H,23,26,28)