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

Systemtic Name: 4-oxidanylidene-N,3-bis(oxolan-2-ylmethyl)-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: 4-oxo-2-phenacylsulfanyl-N,3-bis(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 4-oxo-N,3-bis(2-oxolanylmethyl)-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: 4-oxo-N,3-bis(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 4-keto-2-(phenacylthio)-N,3-bis(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5CCCO5

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5CCCO5

InChI

InChI=1S/C27H29N3O5S/c31-24(18-6-2-1-3-7-18)17-36-27-29-23-14-19(25(32)28-15-20-8-4-12-34-20)10-11-22(23)26(33)30(27)16-21-9-5-13-35-21/h1-3,6-7,10-11,14,20-21H,4-5,8-9,12-13,15-17H2,(H,28,32)