methyl 2-(3-cyanopropylsulfanyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(3-cyanopropylsulfanyl)-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(3-cyanopropylsulfanyl)-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(3-cyanopropylthio)-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-cyanopropylsulfanyl)-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(3-cyanopropylthio)-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S/c1-25-18(24)13-6-7-15-16(11-13)21-19(27-10-3-2-8-20)22(17(15)23)12-14-5-4-9-26-14/h4-7,9,11H,2-3,10,12H2,1H3