methyl 4-oxidanylidene-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(O3)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(O3)C4=CN=CC=C4

InChI

InChI=1S/C18H13N5O4S/c1-26-17(25)10-4-5-12-13(7-10)20-14(21-15(12)24)9-28-18-23-22-16(27-18)11-3-2-6-19-8-11/h2-8H,9H2,1H3,(H,20,21,24)