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N4-(1-adamantyl)-N6-(2-ethylphenyl)pyrimidine-4,5,6-triamine

N4-(1-adamantyl)-N6-(2-ethylphenyl)pyrimidine-4,5,6-triamine

Systemtic Name:N4-(1-adamantyl)-N6-(2-ethylphenyl)pyrimidine-4,5,6-triamine
Openeye Name:N4-(1-adamantyl)-N6-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CAS Name:N4-(1-adamantyl)-N6-(2-ethylphenyl)pyrimidine-4,5,6-triamine
IUPAC Name:4-N-(1-adamantyl)-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
Traditional Name:1-adamantyl-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]amine
Formula: C22H29N5
MolecularWeight: 363.49916
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)N


Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)N


InChI

InChI=1S/C22H29N5/c1-2-17-5-3-4-6-18(17)26-20-19(23)21(25-13-24-20)27-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16H,2,7-12,23H2,1H3,(H2,24,25,26,27)


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