methyl 2-(3-cyanopropylsulfanyl)-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-(3-cyanopropylsulfanyl)-4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Openeye Name: methyl 2-(3-cyanopropylsulfanyl)-4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylate CAS Name: 2-(3-cyanopropylthio)-4-oxo-3-[[(2R)-2-oxolanyl]methyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-cyanopropylsulfanyl)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-7-carboxylate Traditional Name: 2-(3-cyanopropylthio)-4-keto-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazoline-7-carboxylic acid methyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCC#N)CC3CCCO3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCCC#N)C[C@H]3CCCO3

InChI

InChI=1S/C19H21N3O4S/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/h6-7,11,14H,2-5,9-10,12H2,1H3/t14-/m1/s1