5-butyl-6-methyl-2-phenylazanyl-1,3-diazinan-4-one; ethanoic acid

Systemtic Name: 5-butyl-6-methyl-2-phenylazanyl-1,3-diazinan-4-one; ethanoic acid Openeye Name: acetic acid; 2-anilino-5-butyl-6-methyl-hexahydropyrimidin-4-one CAS Name: acetic acid; 2-anilino-5-butyl-6-methyl-1,3-diazinan-4-one IUPAC Name: acetic acid; 2-anilino-5-butyl-6-methyl-1,3-diazinan-4-one Traditional Name: acetic acid; 2-anilino-5-butyl-6-methyl-hexahydropyrimidin-4-one Formula: C17H27N3O3 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(NC(NC1=O)NC2=CC=CC=C2)C.CC(=O)O

Isomeric SMILES

CCCCC1C(NC(NC1=O)NC2=CC=CC=C2)C.CC(=O)O

InChI

InChI=1S/C15H23N3O.C2H4O2/c1-3-4-10-13-11(2)16-15(18-14(13)19)17-12-8-6-5-7-9-12;1-2(3)4/h5-9,11,13,15-17H,3-4,10H2,1-2H3,(H,18,19);1H3,(H,3,4)