2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H31N5O5S MolecularWeight: 465.56634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C21H31N5O5S/c1-30-18-13-16-17(14-19(18)31-2)22-20(23-21(16)27)15-24-9-11-26(12-10-24)32(28,29)25-7-5-3-4-6-8-25/h13-14H,3-12,15H2,1-2H3,(H,22,23,27)