2-[(3-ethanoylphenyl)amino]-5-octyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(3-ethanoylphenyl)amino]-5-octyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-(3-acetylanilino)-4-hydroxy-5-octyl-1H-pyrimidin-6-one CAS Name: 2-(3-acetylanilino)-4-hydroxy-5-octyl-1H-pyrimidin-6-one IUPAC Name: 2-(3-acetylanilino)-4-hydroxy-5-octyl-1H-pyrimidin-6-one Traditional Name: 2-(3-acetylanilino)-4-hydroxy-5-octyl-1H-pyrimidin-6-one Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N=C(NC1=O)NC2=CC=CC(=C2)C(=O)C)O

Isomeric SMILES

CCCCCCCCC1=C(N=C(NC1=O)NC2=CC=CC(=C2)C(=O)C)O

InChI

InChI=1S/C20H27N3O3/c1-3-4-5-6-7-8-12-17-18(25)22-20(23-19(17)26)21-16-11-9-10-15(13-16)14(2)24/h9-11,13H,3-8,12H2,1-2H3,(H3,21,22,23,25,26)