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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-ethoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-ethoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-ethoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-ethoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-ethoxy-5H-pyrimid[5,4-b]indole Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C21H20N4O/c1-2-26-16-7-8-18-17(11-16)19-20(24-18)21(23-13-22-19)25-10-9-14-5-3-4-6-15(14)12-25/h3-8,11,13,24H,2,9-10,12H2,1H3