5-[1-(azepan-1-ylamino)propylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1-azepanylamino)propylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(o-tolyl)barbituric acid Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)NN3CCCCCC3

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)NN3CCCCCC3

InChI

InChI=1S/C20H26N4O3/c1-3-15(22-23-12-8-4-5-9-13-23)17-18(25)21-20(27)24(19(17)26)16-11-7-6-10-14(16)2/h6-7,10-11,22H,3-5,8-9,12-13H2,1-2H3,(H,21,25,27)