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

Systemtic Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1-azepanylamino)propylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(azepan-1-ylamino)propylidene]-1-(4-methoxyphenyl)barbituric acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4/c1-3-16(22-23-12-6-4-5-7-13-23)17-18(25)21-20(27)24(19(17)26)14-8-10-15(28-2)11-9-14/h8-11,22H,3-7,12-13H2,1-2H3,(H,21,25,27)