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N6-hexadecyl-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

N6-hexadecyl-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name:N6-hexadecyl-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
Openeye Name:N6-hexadecyl-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CAS Name:N6-hexadecyl-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
IUPAC Name:6-N-hexadecyl-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
Traditional Name:[5-amino-6-(cetylamino)pyrimidin-4-yl]-(3-methoxyphenyl)amine
Formula: C27H45N5O
MolecularWeight: 455.6791
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)NC2=CC(=CC=C2)OC


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)NC2=CC(=CC=C2)OC


InChI

InChI=1S/C27H45N5O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-26-25(28)27(31-22-30-26)32-23-18-17-19-24(21-23)33-2/h17-19,21-22H,3-16,20,28H2,1-2H3,(H2,29,30,31,32)


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