N6-(4-butylphenyl)-N4-(5-chloranylpyridin-2-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(5-chloranylpyridin-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(5-chloro-2-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(5-chloropyridin-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(5-chloro-2-pyridyl)amine Formula: C19H21ClN6 MolecularWeight: 368.86324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Cl)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)Cl)N

InChI

InChI=1S/C19H21ClN6/c1-2-3-4-13-5-8-15(9-6-13)25-18-17(21)19(24-12-23-18)26-16-10-7-14(20)11-22-16/h5-12H,2-4,21H2,1H3,(H2,22,23,24,25,26)