N4-[(E)-(4-butoxyphenyl)methylideneamino]-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[(E)-(4-butoxyphenyl)methylideneamino]-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-benzyl-N4-[(E)-(4-butoxyphenyl)methyleneamino]-6-methyl-pyrimidine-2,4-diamine CAS Name: N4-[(E)-(4-butoxyphenyl)methylideneamino]-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-4-N-[(E)-(4-butoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine Traditional Name: benzyl-[4-[(N'E)-N'-(4-butoxybenzylidene)hydrazino]-6-methyl-pyrimidin-2-yl]amine Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NNC2=NC(=NC(=C2)C)NCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/NC2=NC(=NC(=C2)C)NCC3=CC=CC=C3

InChI

InChI=1S/C23H27N5O/c1-3-4-14-29-21-12-10-20(11-13-21)17-25-28-22-15-18(2)26-23(27-22)24-16-19-8-6-5-7-9-19/h5-13,15,17H,3-4,14,16H2,1-2H3,(H2,24,26,27,28)/b25-17+