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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 4-oxo-N-propyl-2-(p-tolylmethylsulfanyl)-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-[(4-methylphenyl)methylthio]-4-oxo-3-(2-oxolanylmethyl)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-4-oxo-3-(oxolan-2-ylmethyl)-N-propylquinazoline-7-carboxamide Traditional Name: 4-keto-2-[(4-methylbenzyl)thio]-N-propyl-3-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C)CC4CCCO4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C)CC4CCCO4

InChI

InChI=1S/C25H29N3O3S/c1-3-12-26-23(29)19-10-11-21-22(14-19)27-25(32-16-18-8-6-17(2)7-9-18)28(24(21)30)15-20-5-4-13-31-20/h6-11,14,20H,3-5,12-13,15-16H2,1-2H3,(H,26,29)