6-(2-methylpropyl)-5-oxidanylidene-2-pentylimino-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid

Systemtic Name: 6-(2-methylpropyl)-5-oxidanylidene-2-pentylimino-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid Openeye Name: 6-isobutyl-5-oxo-2-pentylimino-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylic acid CAS Name: 6-(2-methylpropyl)-5-oxo-2-pentylimino-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid IUPAC Name: 6-(2-methylpropyl)-5-oxo-2-pentylimino-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid Traditional Name: 2-amylimino-6-isobutyl-5-keto-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylic acid Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C1N(CC(=O)C(N1C(=O)O)CC(C)C)CCCC2=CC=CC=C2

Isomeric SMILES

CCCCCN=C1N(CC(=O)C(N1C(=O)O)CC(C)C)CCCC2=CC=CC=C2

InChI

InChI=1S/C23H35N3O3/c1-4-5-9-14-24-22-25(15-10-13-19-11-7-6-8-12-19)17-21(27)20(16-18(2)3)26(22)23(28)29/h6-8,11-12,18,20H,4-5,9-10,13-17H2,1-3H3,(H,28,29)