N6-(4-butylphenyl)-N4-(2-chloranylpyridin-3-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(2-chloranylpyridin-3-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(2-chloro-3-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(2-chloropyridin-3-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(2-chloro-3-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=C(N=CC=C3)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN6/c1-2-3-5-13-7-9-14(10-8-13)25-18-16(21)19(24-12-23-18)26-15-6-4-11-22-17(15)20/h4,6-12H,2-3,5,21H2,1H3,(H2,23,24,25,26)