methyl 2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl]sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]thio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl]thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC(C)C3CC3

Isomeric SMILES

C[C@H](C1CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)C

InChI

InChI=1S/C21H27N3O4S/c1-12(2)10-24-19(26)16-8-7-15(20(27)28-4)9-17(16)23-21(24)29-11-18(25)22-13(3)14-5-6-14/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,22,25)/t13-/m1/s1