2-methylsulfanyl-4-oxidanylidene-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-pyrimidine-6-carboxamide

Systemtic Name: 2-methylsulfanyl-4-oxidanylidene-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-pyrimidine-6-carboxamide Openeye Name: 2-methylsulfanyl-4-oxo-N-[(Z)-(4-pentoxyphenyl)methyleneamino]-1H-pyrimidine-6-carboxamide CAS Name: 2-(methylthio)-4-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-pyrimidine-6-carboxamide IUPAC Name: 2-methylsulfanyl-4-oxo-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-pyrimidine-6-carboxamide Traditional Name: N-[(Z)-(4-amoxybenzylidene)amino]-4-keto-2-(methylthio)-1H-pyrimidine-6-carboxamide Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NNC(=O)C2=CC(=O)N=C(N2)SC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N\NC(=O)C2=CC(=O)N=C(N2)SC

InChI

InChI=1S/C18H22N4O3S/c1-3-4-5-10-25-14-8-6-13(7-9-14)12-19-22-17(24)15-11-16(23)21-18(20-15)26-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,22,24)(H,20,21,23)/b19-12-