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

Systemtic Name: N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide Openeye Name: N-(2-furylmethyl)-4-oxo-3-pentyl-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-(2-furanylmethyl)-2-[(4-methylphenyl)methylthio]-4-oxo-3-pentyl-7-quinazolinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-(2-furfuryl)-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC4=CC=C(C=C4)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC4=CC=C(C=C4)C

InChI

InChI=1S/C27H29N3O3S/c1-3-4-5-14-30-26(32)23-13-12-21(25(31)28-17-22-7-6-15-33-22)16-24(23)29-27(30)34-18-20-10-8-19(2)9-11-20/h6-13,15-16H,3-5,14,17-18H2,1-2H3,(H,28,31)