6-chloranyl-N4-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 6-chloranyl-N4-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: N4-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-6-chloro-pyrimidine-2,4-diamine CAS Name: 6-chloro-N4-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-chloropyrimidine-2,4-diamine Traditional Name: (2-amino-6-chloro-pyrimidin-4-yl)-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]amine Formula: C21H19ClN6 MolecularWeight: 390.86876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC4=CC(=NC(=N4)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC4=CC(=NC(=N4)N)Cl

InChI

InChI=1S/C21H19ClN6/c22-18-11-19(26-21(23)25-18)24-12-17-14-28(13-15-7-3-1-4-8-15)27-20(17)16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H3,23,24,25,26)