4-(3,4-dihydro-1H-isoquinolin-2-yl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-7,8-dimethoxy-5H-pyrimid[5,4-b]indole Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCC5=CC=CC=C5C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCC5=CC=CC=C5C4)OC

InChI

InChI=1S/C21H20N4O2/c1-26-17-9-15-16(10-18(17)27-2)24-20-19(15)22-12-23-21(20)25-8-7-13-5-3-4-6-14(13)11-25/h3-6,9-10,12,24H,7-8,11H2,1-2H3