5-[(4-hexadecoxy-3-methoxy-phenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(4-hexadecoxy-3-methoxy-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(4-hexadecoxy-3-methoxy-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(4-hexadecoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(4-hexadecoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(4-cetyloxy-3-methoxy-benzyl)pyrimidin-4-yl]amine Formula: C28H46N4O2 MolecularWeight: 470.69044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC

InChI

InChI=1S/C28H46N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-34-25-18-17-23(21-26(25)33-2)20-24-22-31-28(30)32-27(24)29/h17-18,21-22H,3-16,19-20H2,1-2H3,(H4,29,30,31,32)