2-(4-bromophenyl)-N-[(E)-(4-heptoxyphenyl)methylideneamino]-6-methyl-pyrimidin-4-amine

Systemtic Name: 2-(4-bromophenyl)-N-[(E)-(4-heptoxyphenyl)methylideneamino]-6-methyl-pyrimidin-4-amine Openeye Name: 2-(4-bromophenyl)-N-[(E)-(4-heptoxyphenyl)methyleneamino]-6-methyl-pyrimidin-4-amine CAS Name: 2-(4-bromophenyl)-N-[(E)-(4-heptoxyphenyl)methylideneamino]-6-methyl-4-pyrimidinamine IUPAC Name: 2-(4-bromophenyl)-N-[(E)-(4-heptoxyphenyl)methylideneamino]-6-methylpyrimidin-4-amine Traditional Name: [2-(4-bromophenyl)-6-methyl-pyrimidin-4-yl]-[(E)-(4-heptoxybenzylidene)amino]amine Formula: C25H29BrN4O MolecularWeight: 481.42796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C=NNC2=NC(=NC(=C2)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)/C=N/NC2=NC(=NC(=C2)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H29BrN4O/c1-3-4-5-6-7-16-31-23-14-8-20(9-15-23)18-27-30-24-17-19(2)28-25(29-24)21-10-12-22(26)13-11-21/h8-15,17-18H,3-7,16H2,1-2H3,(H,28,29,30)/b27-18+