methyl 2-[1-(3-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[1-(3-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[1-methyl-2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[1-(3-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-1-methyl-2-(3-methylpiperidino)ethyl]thio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC1CCCN(C1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-18-8-7-14-29(17-18)24(31)19(2)35-27-28-23-16-21(26(33)34-3)11-12-22(23)25(32)30(27)15-13-20-9-5-4-6-10-20/h4-6,9-12,16,18-19H,7-8,13-15,17H2,1-3H3