methyl 2-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-methoxypropyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]thio]-3-(3-methoxypropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanyl-3-(3-methoxypropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-3-(3-methoxypropyl)quinazoline-7-carboxylic acid methyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCCOC

Isomeric SMILES

C[C@H](C(=O)NC1CC1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCCOC

InChI

InChI=1S/C20H25N3O5S/c1-12(17(24)21-14-6-7-14)29-20-22-16-11-13(19(26)28-3)5-8-15(16)18(25)23(20)9-4-10-27-2/h5,8,11-12,14H,4,6-7,9-10H2,1-3H3,(H,21,24)/t12-/m1/s1