2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-N-(oxolan-2-ylmethyl)-3-prop-2-enyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-N-(oxolan-2-ylmethyl)-3-prop-2-enyl-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-2-(p-tolylmethylsulfanyl)-N-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-[(4-methylphenyl)methylthio]-4-oxo-N-(2-oxolanylmethyl)-3-prop-2-enyl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-4-oxo-N-(oxolan-2-ylmethyl)-3-prop-2-enylquinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-2-[(4-methylbenzyl)thio]-N-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4CCCO4)C(=O)N2CC=C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4CCCO4)C(=O)N2CC=C

InChI

InChI=1S/C25H27N3O3S/c1-3-12-28-24(30)21-11-10-19(23(29)26-15-20-5-4-13-31-20)14-22(21)27-25(28)32-16-18-8-6-17(2)7-9-18/h3,6-11,14,20H,1,4-5,12-13,15-16H2,2H3,(H,26,29)