6,7-dimethoxy-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[4-(3-thenyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-26-17-9-15-16(10-18(17)27-2)21-19(22-20(15)25)12-24-6-4-23(5-7-24)11-14-3-8-28-13-14/h3,8-10,13H,4-7,11-12H2,1-2H3,(H,21,22,25)