3-(3-imidazol-1-ylpropyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3-imidazol-1-ylpropyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[3-(1-imidazolyl)propyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3-imidazol-1-ylpropyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3-imidazol-1-ylpropyl)-7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-one Formula: C18H19N5O3 MolecularWeight: 353.37516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CCCN4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CCCN4C=CN=C4)OC

InChI

InChI=1S/C18H19N5O3/c1-25-14-8-12-13(9-15(14)26-2)21-17-16(12)20-11-23(18(17)24)6-3-5-22-7-4-19-10-22/h4,7-11,21H,3,5-6H2,1-2H3