3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylthio]-N-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(3,5-dimethylphenyl)-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NCCOC)C(=O)N2C4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NCCOC)C(=O)N2C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C29H31N3O3S/c1-18-6-7-21(4)23(13-18)17-36-29-31-26-16-22(27(33)30-10-11-35-5)8-9-25(26)28(34)32(29)24-14-19(2)12-20(3)15-24/h6-9,12-16H,10-11,17H2,1-5H3,(H,30,33)