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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-chloranyl-5-methylsulfanyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-chloro-5-methylsulfanyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-chloro-5-(methylthio)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-chloro-5-methylsulfanylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-chloro-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(CCCC)C(=O)C2=C(C=CC(=C2)SC)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O3S/c1-4-6-10-24(19(27)14-12-13(29-3)8-9-15(14)21)16-17(22)25(11-7-5-2)20(28)23-18(16)26/h8-9,12H,4-7,10-11,22H2,1-3H3,(H,23,26,28)