methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C27H29N5O3S MolecularWeight: 503.61586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O3S/c1-16-13-17(2)29-25(28-16)31-32-23(33)21-12-9-19(24(34)35-6)14-22(21)30-26(32)36-15-18-7-10-20(11-8-18)27(3,4)5/h7-14H,15H2,1-6H3,(H,28,29,31)