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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-isobutyl-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(2-methylpropyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-isobutyl-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S/c1-6-11-26-23(29)19-9-10-21-22(13-19)27-25(28(24(21)30)14-16(2)3)31-15-20-12-17(4)7-8-18(20)5/h7-10,12-13,16H,6,11,14-15H2,1-5H3,(H,26,29)