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

Systemtic Name: 8-methoxy-5-methyl-1-[(3-methylphenyl)methyl]-3-(phenylmethyl)pyrimido[5,4-b]indole-2,4-dione Openeye Name: 3-benzyl-8-methoxy-5-methyl-1-(m-tolylmethyl)pyrimido[5,4-b]indole-2,4-dione CAS Name: 8-methoxy-5-methyl-1-[(3-methylphenyl)methyl]-3-(phenylmethyl)pyrimido[5,4-b]indole-2,4-dione IUPAC Name: 3-benzyl-8-methoxy-5-methyl-1-[(3-methylphenyl)methyl]pyrimido[5,4-b]indole-2,4-dione Traditional Name: 3-benzyl-8-methoxy-5-methyl-1-(3-methylbenzyl)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(=CC=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)N(C5=C3C=C(C=C5)OC)C

InChI

InChI=1S/C27H25N3O3/c1-18-8-7-11-20(14-18)17-29-24-22-15-21(33-3)12-13-23(22)28(2)25(24)26(31)30(27(29)32)16-19-9-5-4-6-10-19/h4-15H,16-17H2,1-3H3