methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-cyclohexyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-cyclohexyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-cyclohexyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-cyclohexyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4CCCCC4

InChI

InChI=1S/C27H32N2O3S/c1-27(2,3)20-13-10-18(11-14-20)17-33-26-28-23-16-19(25(31)32-4)12-15-22(23)24(30)29(26)21-8-6-5-7-9-21/h10-16,21H,5-9,17H2,1-4H3