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

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-8-methoxy-5-methyl-1-propyl-pyrimido[5,4-b]indole-2,4-dione Openeye Name: 3-(5-chloro-2-methyl-phenyl)-8-methoxy-5-methyl-1-propyl-pyrimido[5,4-b]indole-2,4-dione CAS Name: 3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1-propylpyrimido[5,4-b]indole-2,4-dione IUPAC Name: 3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1-propylpyrimido[5,4-b]indole-2,4-dione Traditional Name: 3-(5-chloro-2-methyl-phenyl)-8-methoxy-5-methyl-1-propyl-pyrimid[5,4-b]indole-2,4-quinone Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3/c1-5-10-25-19-16-12-15(29-4)8-9-17(16)24(3)20(19)21(27)26(22(25)28)18-11-14(23)7-6-13(18)2/h6-9,11-12H,5,10H2,1-4H3