methyl 4-[4-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-6,7-dimethoxy-quinazolin-2-yl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-6,7-dimethoxy-quinazolin-2-yl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-6,7-dimethoxy-quinazolin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-[[[1-[3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-6,7-dimethoxy-2-quinazolinyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[[1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-6,7-dimethoxyquinazolin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[[1-[3-(acetylthio)-2-methyl-propanoyl]prolyl]amino]-6,7-dimethoxy-quinazolin-2-yl]piperazine-1-carboxylic acid methyl ester Formula: C27H36N6O7S MolecularWeight: 588.67574

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)N4CCN(CC4)C(=O)OC

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)N4CCN(CC4)C(=O)OC

InChI

InChI=1S/C27H36N6O7S/c1-16(15-41-17(2)34)25(36)33-8-6-7-20(33)24(35)29-23-18-13-21(38-3)22(39-4)14-19(18)28-26(30-23)31-9-11-32(12-10-31)27(37)40-5/h13-14,16,20H,6-12,15H2,1-5H3,(H,28,29,30,35)