6,7-dimethoxy-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[(4-benzylsulfonylpiperazino)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)OC

InChI

InChI=1S/C22H26N4O5S/c1-30-19-12-17-18(13-20(19)31-2)23-21(24-22(17)27)14-25-8-10-26(11-9-25)32(28,29)15-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,24,27)