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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)N

InChI

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