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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-2-3-7-14-30-26(33)22-13-12-20(25(32)28-17-21-11-8-15-34-21)16-23(22)29-27(30)35-18-24(31)19-9-5-4-6-10-19/h4-6,9-10,12-13,16,21H,2-3,7-8,11,14-15,17-18H2,1H3,(H,28,32)