2-(7-bromanyl-2H-pyrimido[1,2-a]pyrimidin-2-yl)-4-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-cyclohexa-1,5-diene-1-carbaldehyde

Systemtic Name: 2-(7-bromanyl-2H-pyrimido[1,2-a]pyrimidin-2-yl)-4-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-cyclohexa-1,5-diene-1-carbaldehyde Openeye Name: 2-(7-bromo-2H-pyrimido[1,2-a]pyrimidin-2-yl)-4-(4-hydroxy-3-methoxy-phenyl)-3-methyl-cyclohexa-1,5-diene-1-carbaldehyde CAS Name: 2-(7-bromo-2H-pyrimido[1,2-a]pyrimidin-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-cyclohexa-1,5-dienecarboxaldehyde IUPAC Name: 2-(7-bromo-2H-pyrimido[1,2-a]pyrimidin-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-3-methylcyclohexa-1,5-diene-1-carbaldehyde Traditional Name: 2-(7-bromo-2H-pyrimido[1,2-a]pyrimidin-2-yl)-4-(4-hydroxy-3-methoxy-phenyl)-3-methyl-cyclohexa-1,5-diene-1-carbaldehyde Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=CC(=C1C2C=CN3C=C(C=NC3=N2)Br)C=O)C4=CC(=C(C=C4)O)OC

Isomeric SMILES

CC1C(C=CC(=C1C2C=CN3C=C(C=NC3=N2)Br)C=O)C4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C22H20BrN3O3/c1-13-17(14-4-6-19(28)20(9-14)29-2)5-3-15(12-27)21(13)18-7-8-26-11-16(23)10-24-22(26)25-18/h3-13,17-18,28H,1-2H3