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

Systemtic Name: methyl 2-(3-cyanopropylsulfanyl)-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-(3-cyanopropylsulfanyl)-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(3-cyanopropylthio)-3-[(2R)-2-hydroxypropyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-cyanopropylsulfanyl)-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(3-cyanopropylthio)-3-[(2R)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCCC#N)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCCC#N)O

InChI

InChI=1S/C17H19N3O4S/c1-11(21)10-20-15(22)13-6-5-12(16(23)24-2)9-14(13)19-17(20)25-8-4-3-7-18/h5-6,9,11,21H,3-4,8,10H2,1-2H3/t11-/m1/s1