3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-4-oxo-2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-4-oxo-2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-7-quinazolinecarboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazoline-7-carboxamide Traditional Name: 4-keto-2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]-N-(2-methoxyethyl)-3-piperonyl-quinazoline-7-carboxamide Formula: C27H30N4O7S MolecularWeight: 554.6147

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC3CCCO3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC3CCCO3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H30N4O7S/c1-35-10-8-28-25(33)18-5-6-20-21(12-18)30-27(39-15-24(32)29-13-19-3-2-9-36-19)31(26(20)34)14-17-4-7-22-23(11-17)38-16-37-22/h4-7,11-12,19H,2-3,8-10,13-16H2,1H3,(H,28,33)(H,29,32)