ethyl (5S)-7-azanyl-4-oxidanylidene-5-phenyl-2-prop-2-enylsulfanyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl (5S)-7-azanyl-4-oxidanylidene-5-phenyl-2-prop-2-enylsulfanyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl (5S)-2-allylsulfanyl-7-amino-4-oxo-5-phenyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate CAS Name: (5S)-7-amino-4-oxo-5-phenyl-2-(prop-2-enylthio)-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-7-amino-4-oxo-5-phenyl-2-prop-2-enylsulfanyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate Traditional Name: (5S)-2-(allylthio)-7-amino-4-keto-5-phenyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3)C(=O)NC(=N2)SCC=C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC=CC=C3)C(=O)NC(=N2)SCC=C)N

InChI

InChI=1S/C19H19N3O4S/c1-3-10-27-19-21-16(23)14-12(11-8-6-5-7-9-11)13(18(24)25-4-2)15(20)26-17(14)22-19/h3,5-9,12H,1,4,10,20H2,2H3,(H,21,22,23)/t12-/m1/s1