methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C26H25N5O5S MolecularWeight: 519.5722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NN2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2SCC4=C(C=CC(=C4)C(=O)C)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NN2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2SCC4=C(C=CC(=C4)C(=O)C)OC)C

InChI

InChI=1S/C26H25N5O5S/c1-14-10-15(2)28-25(27-14)30-31-23(33)20-8-6-18(24(34)36-5)12-21(20)29-26(31)37-13-19-11-17(16(3)32)7-9-22(19)35-4/h6-12H,13H2,1-5H3,(H,27,28,30)