2-methylsulfanyl-6-[(4-octylphenyl)amino]-1H-pyrimidin-4-one

Systemtic Name: 2-methylsulfanyl-6-[(4-octylphenyl)amino]-1H-pyrimidin-4-one Openeye Name: 2-methylsulfanyl-6-(4-octylanilino)-1H-pyrimidin-4-one CAS Name: 2-(methylthio)-6-(4-octylanilino)-1H-pyrimidin-4-one IUPAC Name: 2-methylsulfanyl-6-(4-octylanilino)-1H-pyrimidin-4-one Traditional Name: 2-(methylthio)-6-(4-octylanilino)-1H-pyrimidin-4-one Formula: C19H27N3OS MolecularWeight: 345.50218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC2=CC(=O)N=C(N2)SC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC2=CC(=O)N=C(N2)SC

InChI

InChI=1S/C19H27N3OS/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-17-14-18(23)22-19(21-17)24-2/h10-14H,3-9H2,1-2H3,(H2,20,21,22,23)