5-[[4-chloranyl-3,5-bis(methylamino)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-chloranyl-3,5-bis(methylamino)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-chloro-3,5-bis(methylamino)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-chloro-3,5-bis(methylamino)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-chloro-3,5-bis(methylamino)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-chloro-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-(methylamino)phenyl]-methyl-amine Formula: C13H17ClN6 MolecularWeight: 292.76728

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=CC(=C1Cl)NC)CC2=CN=C(N=C2N)N

Isomeric SMILES

CNC1=CC(=CC(=C1Cl)NC)CC2=CN=C(N=C2N)N

InChI

InChI=1S/C13H17ClN6/c1-17-9-4-7(5-10(18-2)11(9)14)3-8-6-19-13(16)20-12(8)15/h4-6,17-18H,3H2,1-2H3,(H4,15,16,19,20)