3-(3-methylbutyl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methylbutyl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: 3-isopentyl-4-oxo-2-phenacylsulfanyl-N-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 3-(3-methylbutyl)-4-oxo-N-(2-oxolanylmethyl)-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: 3-(3-methylbutyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-isoamyl-4-keto-2-(phenacylthio)-N-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C27H31N3O4S MolecularWeight: 493.61774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-18(2)12-13-30-26(33)22-11-10-20(25(32)28-16-21-9-6-14-34-21)15-23(22)29-27(30)35-17-24(31)19-7-4-3-5-8-19/h3-5,7-8,10-11,15,18,21H,6,9,12-14,16-17H2,1-2H3,(H,28,32)