7-(4-methylphenyl)-4-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: 7-(4-methylphenyl)-4-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: 1-allyl-4-oxo-7-(p-tolyl)-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 7-(4-methylphenyl)-4-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylate IUPAC Name: 7-(4-methylphenyl)-4-oxo-1-prop-2-enyl-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 1-allyl-4-keto-7-(p-tolyl)-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate Formula: C18H14N3O3S- MolecularWeight: 352.38706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(=O)[O-])C(=O)NC(=S)N3CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(=O)[O-])C(=O)NC(=S)N3CC=C

InChI

InChI=1S/C18H15N3O3S/c1-3-8-21-15-14(16(22)20-18(21)25)12(17(23)24)9-13(19-15)11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3,(H,23,24)(H,20,22,25)/p-1