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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-chloranyl-N-(3-methylbutyl)-5-methylsulfanyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-chloro-N-isopentyl-5-methylsulfanyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-N-(3-methylbutyl)-5-(methylthio)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(3-methylbutyl)-5-methylsulfanylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-chloro-N-isoamyl-5-(methylthio)benzamide Formula: C21H29ClN4O3S MolecularWeight: 452.99796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O3S/c1-5-6-10-26-18(23)17(19(27)24-21(26)29)25(11-9-13(2)3)20(28)15-12-14(30-4)7-8-16(15)22/h7-8,12-13H,5-6,9-11,23H2,1-4H3,(H,24,27,29)