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

Systemtic Name: 8-methoxy-5-methyl-1-[(4-methylphenyl)methyl]-3-phenethyl-pyrimido[5,4-b]indole-2,4-dione Openeye Name: 8-methoxy-5-methyl-3-phenethyl-1-(p-tolylmethyl)pyrimido[5,4-b]indole-2,4-dione CAS Name: 8-methoxy-5-methyl-1-[(4-methylphenyl)methyl]-3-phenethylpyrimido[5,4-b]indole-2,4-dione IUPAC Name: 8-methoxy-5-methyl-1-[(4-methylphenyl)methyl]-3-phenethylpyrimido[5,4-b]indole-2,4-dione Traditional Name: 8-methoxy-5-methyl-1-(4-methylbenzyl)-3-phenethyl-pyrimid[5,4-b]indole-2,4-quinone Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

InChI

InChI=1S/C28H27N3O3/c1-19-9-11-21(12-10-19)18-31-25-23-17-22(34-3)13-14-24(23)29(2)26(25)27(32)30(28(31)33)16-15-20-7-5-4-6-8-20/h4-14,17H,15-16,18H2,1-3H3