methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-amino-2-oxo-ethyl)sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-amino-2-oxoethyl)sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N)CC3=CC=CO3

InChI

InChI=1S/C17H15N3O5S/c1-24-16(23)10-4-5-12-13(7-10)19-17(26-9-14(18)21)20(15(12)22)8-11-3-2-6-25-11/h2-7H,8-9H2,1H3,(H2,18,21)