5-[bis(azanyl)methylidene]-1-butyl-3-(3-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[bis(azanyl)methylidene]-1-butyl-3-(3-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-benzyloxyphenyl)-3-butyl-5-(diaminomethylene)hexahydropyrimidine-2,4,6-trione CAS Name: 1-butyl-5-(diaminomethylidene)-3-(3-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-butyl-5-(diaminomethylidene)-3-(3-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-benzoxyphenyl)-3-butyl-5-(diaminomethylene)barbituric acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(N)N)C(=O)N(C1=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C(=C(N)N)C(=O)N(C1=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4/c1-2-3-12-25-20(27)18(19(23)24)21(28)26(22(25)29)16-10-7-11-17(13-16)30-14-15-8-5-4-6-9-15/h4-11,13H,2-3,12,14,23-24H2,1H3