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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-N-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-4-keto-N-(2-methoxyethyl)-3-piperonyl-quinazoline-7-carboxamide Formula: C27H30N4O6S MolecularWeight: 538.6153

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H30N4O6S/c1-35-11-10-28-25(33)18-7-8-20-21(13-18)30-27(38-15-24(32)29-19-4-2-3-5-19)31(26(20)34)14-17-6-9-22-23(12-17)37-16-36-22/h6-9,12-13,19H,2-5,10-11,14-16H2,1H3,(H,28,33)(H,29,32)