N-[6-azanyl-1-butyl-3-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]carbothioylbenzamide

Systemtic Name: N-[6-azanyl-1-butyl-3-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]carbothioylbenzamide Openeye Name: N-(6-amino-1-butyl-3-methyl-2,4-dioxo-pyrimidine-5-carbothioyl)benzamide CAS Name: N-[(6-amino-1-butyl-3-methyl-2,4-dioxo-5-pyrimidinyl)-sulfanylidenemethyl]benzamide IUPAC Name: N-(6-amino-1-butyl-3-methyl-2,4-dioxopyrimidine-5-carbothioyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-3-methyl-pyrimidine-5-carbothioyl)benzamide Formula: C17H20N4O3S MolecularWeight: 360.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)N(C1=O)C)C(=S)NC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)N(C1=O)C)C(=S)NC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C17H20N4O3S/c1-3-4-10-21-13(18)12(16(23)20(2)17(21)24)15(25)19-14(22)11-8-6-5-7-9-11/h5-9H,3-4,10,18H2,1-2H3,(H,19,22,25)