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

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-3-phenyl-pyrimido[5,4-b]indole-2,4-dione Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-3-phenyl-pyrimido[5,4-b]indole-2,4-dione CAS Name: 1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-3-phenylpyrimido[5,4-b]indole-2,4-dione IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-3-phenylpyrimido[5,4-b]indole-2,4-dione Traditional Name: 1-(2,5-dimethylbenzyl)-8-methoxy-5-methyl-3-phenyl-pyrimid[5,4-b]indole-2,4-quinone Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

InChI

InChI=1S/C27H25N3O3/c1-17-10-11-18(2)19(14-17)16-29-24-22-15-21(33-4)12-13-23(22)28(3)25(24)26(31)30(27(29)32)20-8-6-5-7-9-20/h5-15H,16H2,1-4H3