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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,8-dimethyl-pyrimido[5,4-b]indole Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,8-dimethyl-pyrimido[5,4-b]indole CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,8-dimethylpyrimido[5,4-b]indole IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,8-dimethylpyrimido[5,4-b]indole Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,8-dimethyl-pyrimid[5,4-b]indole Formula: C21H20N4 MolecularWeight: 328.4103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2N=CN=C3N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2N=CN=C3N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C21H20N4/c1-14-7-8-18-17(11-14)19-20(24(18)2)21(23-13-22-19)25-10-9-15-5-3-4-6-16(15)12-25/h3-8,11,13H,9-10,12H2,1-2H3