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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylthio]-N-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorobenzyl)thio]-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCOC)N=C2SCC4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCOC)N=C2SCC4=CC(=CC=C4)F)C

InChI

InChI=1S/C27H26FN3O3S/c1-17-11-18(2)13-22(12-17)31-26(33)23-8-7-20(25(32)29-9-10-34-3)15-24(23)30-27(31)35-16-19-5-4-6-21(28)14-19/h4-8,11-15H,9-10,16H2,1-3H3,(H,29,32)