3-(3-chlorophenyl)-8-methoxy-5-methyl-1-propyl-pyrimido[5,4-b]indole-2,4-dione

Systemtic Name: 3-(3-chlorophenyl)-8-methoxy-5-methyl-1-propyl-pyrimido[5,4-b]indole-2,4-dione Openeye Name: 3-(3-chlorophenyl)-8-methoxy-5-methyl-1-propyl-pyrimido[5,4-b]indole-2,4-dione CAS Name: 3-(3-chlorophenyl)-8-methoxy-5-methyl-1-propylpyrimido[5,4-b]indole-2,4-dione IUPAC Name: 3-(3-chlorophenyl)-8-methoxy-5-methyl-1-propylpyrimido[5,4-b]indole-2,4-dione Traditional Name: 3-(3-chlorophenyl)-8-methoxy-5-methyl-1-propyl-pyrimid[5,4-b]indole-2,4-quinone Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C3=CC(=CC=C3)Cl)N(C4=C2C=C(C=C4)OC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C3=CC(=CC=C3)Cl)N(C4=C2C=C(C=C4)OC)C

InChI

InChI=1S/C21H20ClN3O3/c1-4-10-24-18-16-12-15(28-3)8-9-17(16)23(2)19(18)20(26)25(21(24)27)14-7-5-6-13(22)11-14/h5-9,11-12H,4,10H2,1-3H3