ethyl (5R)-7-azanyl-5-(2-hydroxyphenyl)-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl (5R)-7-azanyl-5-(2-hydroxyphenyl)-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl (5R)-7-amino-5-(2-hydroxyphenyl)-4-oxo-2-thioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate CAS Name: (5R)-7-amino-5-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (5R)-7-amino-5-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate Traditional Name: (5R)-7-amino-5-(2-hydroxyphenyl)-4-keto-2-thioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3O)C(=O)NC(=S)N2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@H]1C3=CC=CC=C3O)C(=O)NC(=S)N2)N

InChI

InChI=1S/C16H15N3O5S/c1-2-23-15(22)10-9(7-5-3-4-6-8(7)20)11-13(21)18-16(25)19-14(11)24-12(10)17/h3-6,9,20H,2,17H2,1H3,(H2,18,19,21,25)/t9-/m0/s1