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

Systemtic Name: 6-(2-methylpropyl)-5-oxidanylidene-3-(3-phenylpropyl)-2-prop-2-enylimino-1,3-diazinane-1-carboxylic acid Openeye Name: 2-allylimino-6-isobutyl-5-oxo-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylic acid CAS Name: 6-(2-methylpropyl)-5-oxo-3-(3-phenylpropyl)-2-prop-2-enylimino-1,3-diazinane-1-carboxylic acid IUPAC Name: 6-(2-methylpropyl)-5-oxo-3-(3-phenylpropyl)-2-prop-2-enylimino-1,3-diazinane-1-carboxylic acid Traditional Name: 2-allylimino-6-isobutyl-5-keto-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylic acid Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)CN(C(=NCC=C)N1C(=O)O)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC1C(=O)CN(C(=NCC=C)N1C(=O)O)CCCC2=CC=CC=C2

InChI

InChI=1S/C21H29N3O3/c1-4-12-22-20-23(13-8-11-17-9-6-5-7-10-17)15-19(25)18(14-16(2)3)24(20)21(26)27/h4-7,9-10,16,18H,1,8,11-15H2,2-3H3,(H,26,27)