3-(4-chlorophenyl)-1,5-diethyl-9-methoxy-pyrimido[5,4-b]indole-2,4-dione

Systemtic Name: 3-(4-chlorophenyl)-1,5-diethyl-9-methoxy-pyrimido[5,4-b]indole-2,4-dione Openeye Name: 3-(4-chlorophenyl)-1,5-diethyl-9-methoxy-pyrimido[5,4-b]indole-2,4-dione CAS Name: 3-(4-chlorophenyl)-1,5-diethyl-9-methoxypyrimido[5,4-b]indole-2,4-dione IUPAC Name: 3-(4-chlorophenyl)-1,5-diethyl-9-methoxypyrimido[5,4-b]indole-2,4-dione Traditional Name: 3-(4-chlorophenyl)-1,5-diethyl-9-methoxy-pyrimid[5,4-b]indole-2,4-quinone Formula: C21H20ClN3O3 MolecularWeight: 397.8548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=CC=C2)OC)C3=C1C(=O)N(C(=O)N3CC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C2=C(C(=CC=C2)OC)C3=C1C(=O)N(C(=O)N3CC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-4-23-15-7-6-8-16(28-3)17(15)18-19(23)20(26)25(21(27)24(18)5-2)14-11-9-13(22)10-12-14/h6-12H,4-5H2,1-3H3