2-(4-bromophenyl)-N-[(E)-(4-pentoxyphenyl)methylideneamino]-6-phenyl-pyrimidin-4-amine

Systemtic Name: 2-(4-bromophenyl)-N-[(E)-(4-pentoxyphenyl)methylideneamino]-6-phenyl-pyrimidin-4-amine Openeye Name: 2-(4-bromophenyl)-N-[(E)-(4-pentoxyphenyl)methyleneamino]-6-phenyl-pyrimidin-4-amine CAS Name: 2-(4-bromophenyl)-N-[(E)-(4-pentoxyphenyl)methylideneamino]-6-phenyl-4-pyrimidinamine IUPAC Name: 2-(4-bromophenyl)-N-[(E)-(4-pentoxyphenyl)methylideneamino]-6-phenylpyrimidin-4-amine Traditional Name: [(E)-(4-amoxybenzylidene)amino]-[2-(4-bromophenyl)-6-phenyl-pyrimidin-4-yl]amine Formula: C28H27BrN4O MolecularWeight: 515.44418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NNC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N/NC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H27BrN4O/c1-2-3-7-18-34-25-16-10-21(11-17-25)20-30-33-27-19-26(22-8-5-4-6-9-22)31-28(32-27)23-12-14-24(29)15-13-23/h4-6,8-17,19-20H,2-3,7,18H2,1H3,(H,31,32,33)/b30-20+