6-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]sulfonylchromen-2-one

Systemtic Name: 6-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]sulfonylchromen-2-one Openeye Name: 6-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]sulfonylchromen-2-one CAS Name: 6-[[4-[[4-[3-(dimethylamino)propylamino]-2-quinazolinyl]methyl]-1-piperazinyl]sulfonyl]-1-benzopyran-2-one IUPAC Name: 6-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]sulfonylchromen-2-one Traditional Name: 6-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazino]sulfonylcoumarin Formula: C27H32N6O4S MolecularWeight: 536.64578

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OC(=O)C=C5

Isomeric SMILES

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OC(=O)C=C5

InChI

InChI=1S/C27H32N6O4S/c1-31(2)13-5-12-28-27-22-6-3-4-7-23(22)29-25(30-27)19-32-14-16-33(17-15-32)38(35,36)21-9-10-24-20(18-21)8-11-26(34)37-24/h3-4,6-11,18H,5,12-17,19H2,1-2H3,(H,28,29,30)