N-[2-[4-[[6-(4-cyclopropylcarbonylpiperazin-1-yl)-4-oxidanylidene-2-propyl-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide

Systemtic Name: N-[2-[4-[[6-(4-cyclopropylcarbonylpiperazin-1-yl)-4-oxidanylidene-2-propyl-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide Openeye Name: N-[2-[4-[[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-oxo-2-propyl-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide CAS Name: N-[2-[4-[[6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-4-oxo-2-propyl-3-quinazolinyl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide IUPAC Name: N-[2-[4-[[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-oxo-2-propylquinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide Traditional Name: N-[2-[4-[[6-[4-(cyclopropanecarbonyl)piperazino]-4-keto-2-propyl-quinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide Formula: C36H39N5O5S MolecularWeight: 653.79036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2)N3CCN(CC3)C(=O)C4CC4)C(=O)N1CC5=CC=C(C=C5)C6=CC=CC=C6S(=O)(=O)NC(=O)C7CC7

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2)N3CCN(CC3)C(=O)C4CC4)C(=O)N1CC5=CC=C(C=C5)C6=CC=CC=C6S(=O)(=O)NC(=O)C7CC7

InChI

InChI=1S/C36H39N5O5S/c1-2-5-33-37-31-17-16-28(39-18-20-40(21-19-39)35(43)27-14-15-27)22-30(31)36(44)41(33)23-24-8-10-25(11-9-24)29-6-3-4-7-32(29)47(45,46)38-34(42)26-12-13-26/h3-4,6-11,16-17,22,26-27H,2,5,12-15,18-21,23H2,1H3,(H,38,42)