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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-chloranyl-N-methyl-5-methylsulfanyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-chloro-N-methyl-5-methylsulfanyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-N-methyl-5-(methylthio)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-methyl-5-methylsulfanylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-chloro-N-methyl-5-(methylthio)benzamide Formula: C17H21ClN4O3S MolecularWeight: 396.89164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O3S/c1-4-5-8-22-14(19)13(15(23)20-17(22)25)21(2)16(24)11-9-10(26-3)6-7-12(11)18/h6-7,9H,4-5,8,19H2,1-3H3,(H,20,23,25)