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

Systemtic Name: N4-(1-adamantyl)-N6-(4-butylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1-adamantyl)-N6-(4-butylphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1-adamantyl)-N6-(4-butylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(4-butylphenyl)pyrimidine-4,5,6-triamine Traditional Name: 1-adamantyl-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amine Formula: C24H33N5 MolecularWeight: 391.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)N

InChI

InChI=1S/C24H33N5/c1-2-3-4-16-5-7-20(8-6-16)28-22-21(25)23(27-15-26-22)29-24-12-17-9-18(13-24)11-19(10-17)14-24/h5-8,15,17-19H,2-4,9-14,25H2,1H3,(H2,26,27,28,29)