4-(6,7-dimethoxy-4-piperazin-1-yl-quinazolin-2-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(6,7-dimethoxy-4-piperazin-1-yl-quinazolin-2-yl)piperazine-1-carboxylic acid Openeye Name: 4-(6,7-dimethoxy-4-piperazin-1-yl-quinazolin-2-yl)piperazine-1-carboxylic acid CAS Name: 4-[6,7-dimethoxy-4-(1-piperazinyl)-2-quinazolinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-(6,7-dimethoxy-4-piperazin-1-ylquinazolin-2-yl)piperazine-1-carboxylic acid Traditional Name: 4-(6,7-dimethoxy-4-piperazino-quinazolin-2-yl)piperazine-1-carboxylic acid Formula: C19H26N6O4 MolecularWeight: 402.44754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)O)N4CCNCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)O)N4CCNCC4)OC

InChI

InChI=1S/C19H26N6O4/c1-28-15-11-13-14(12-16(15)29-2)21-18(22-17(13)23-5-3-20-4-6-23)24-7-9-25(10-8-24)19(26)27/h11-12,20H,3-10H2,1-2H3,(H,26,27)