2-(4-bromanyl-3-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole

Systemtic Name: 2-(4-bromanyl-3-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole Openeye Name: 2-(4-bromo-3-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole CAS Name: 2-(4-bromo-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole IUPAC Name: 2-(4-bromo-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole Traditional Name: 2-(4-bromo-3-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-pyrimid[5,4-b]indole Formula: C17H16BrN3O MolecularWeight: 358.23244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC=C3C(=N2)C4=C(N3)CCCC4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC=C3C(=N2)C4=C(N3)CCCC4)Br

InChI

InChI=1S/C17H16BrN3O/c1-22-15-8-10(6-7-12(15)18)17-19-9-14-16(21-17)11-4-2-3-5-13(11)20-14/h6-9,20H,2-5H2,1H3