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

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-8-methoxy-5-methyl-1-(phenylmethyl)pyrimido[5,4-b]indole-2,4-dione Openeye Name: 1-benzyl-3-(5-chloro-2-methyl-phenyl)-8-methoxy-5-methyl-pyrimido[5,4-b]indole-2,4-dione CAS Name: 3-(5-chloro-2-methylphenyl)-8-methoxy-5-methyl-1-(phenylmethyl)pyrimido[5,4-b]indole-2,4-dione IUPAC Name: 1-benzyl-3-(5-chloro-2-methylphenyl)-8-methoxy-5-methylpyrimido[5,4-b]indole-2,4-dione Traditional Name: 1-benzyl-3-(5-chloro-2-methyl-phenyl)-8-methoxy-5-methyl-pyrimid[5,4-b]indole-2,4-quinone Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=O)C3=C(C4=C(N3C)C=CC(=C4)OC)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=O)C3=C(C4=C(N3C)C=CC(=C4)OC)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H22ClN3O3/c1-16-9-10-18(27)13-22(16)30-25(31)24-23(20-14-19(33-3)11-12-21(20)28(24)2)29(26(30)32)15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3