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

Systemtic Name: 2-ethylimino-6-(2-methylpropyl)-5-oxidanylidene-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid Openeye Name: 2-ethylimino-6-isobutyl-5-oxo-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylic acid CAS Name: 2-ethylimino-6-(2-methylpropyl)-5-oxo-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid IUPAC Name: 2-ethylimino-6-(2-methylpropyl)-5-oxo-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid Traditional Name: 2-ethylimino-6-isobutyl-5-keto-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylic acid Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-4-21-19-22(12-8-11-16-9-6-5-7-10-16)14-18(24)17(13-15(2)3)23(19)20(25)26/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3,(H,25,26)