2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-5-methyl-3-(phenylmethyl)pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-5-methyl-3-(phenylmethyl)pyrimido[5,4-b]indol-4-one Openeye Name: 3-benzyl-2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-8-methoxy-5-methyl-3-(phenylmethyl)-4-pyrimido[5,4-b]indolone IUPAC Name: 3-benzyl-2-[(4-fluorophenyl)methylsulfanyl]-8-methoxy-5-methylpyrimido[5,4-b]indol-4-one Traditional Name: 3-benzyl-2-[(4-fluorobenzyl)thio]-8-methoxy-5-methyl-pyrimid[5,4-b]indol-4-one Formula: C26H22FN3O2S MolecularWeight: 459.535183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC4=CC=C(C=C4)F)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC4=CC=C(C=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C26H22FN3O2S/c1-29-22-13-12-20(32-2)14-21(22)23-24(29)25(31)30(15-17-6-4-3-5-7-17)26(28-23)33-16-18-8-10-19(27)11-9-18/h3-14H,15-16H2,1-2H3