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

Systemtic Name: 6,7-dimethoxy-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(4-thiazol-2-ylpiperazin-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(2-thiazolyl)-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[(4-thiazol-2-ylpiperazino)methyl]-1H-quinazolin-4-one Formula: C18H21N5O3S MolecularWeight: 387.45604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=NC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=NC=CS4)OC

InChI

InChI=1S/C18H21N5O3S/c1-25-14-9-12-13(10-15(14)26-2)20-16(21-17(12)24)11-22-4-6-23(7-5-22)18-19-3-8-27-18/h3,8-10H,4-7,11H2,1-2H3,(H,20,21,24)