4-(3,4-dihydro-1H-isoquinolin-2-yl)-9-methoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-9-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-9-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-9-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-9-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-9-methoxy-5H-pyrimid[5,4-b]indole Formula: C20H18N4O MolecularWeight: 330.38312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C20H18N4O/c1-25-16-8-4-7-15-17(16)18-19(23-15)20(22-12-21-18)24-10-9-13-5-2-3-6-14(13)11-24/h2-8,12,23H,9-11H2,1H3