1-(3-chlorophenyl)-N,N'-bis(2,6-dimethoxypyrimidin-4-yl)methanediamine

Systemtic Name: 1-(3-chlorophenyl)-N,N'-bis(2,6-dimethoxypyrimidin-4-yl)methanediamine Openeye Name: 1-(3-chlorophenyl)-N,N'-bis(2,6-dimethoxypyrimidin-4-yl)methanediamine CAS Name: 1-(3-chlorophenyl)-N,N'-bis(2,6-dimethoxy-4-pyrimidinyl)methanediamine IUPAC Name: 1-(3-chlorophenyl)-N,N'-bis(2,6-dimethoxypyrimidin-4-yl)methanediamine Traditional Name: [(3-chlorophenyl)-[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]-(2,6-dimethoxypyrimidin-4-yl)amine Formula: C19H21ClN6O4 MolecularWeight: 432.86084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NC(C2=CC(=CC=C2)Cl)NC3=CC(=NC(=N3)OC)OC)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NC(C2=CC(=CC=C2)Cl)NC3=CC(=NC(=N3)OC)OC)OC

InChI

InChI=1S/C19H21ClN6O4/c1-27-15-9-13(23-18(25-15)29-3)21-17(11-6-5-7-12(20)8-11)22-14-10-16(28-2)26-19(24-14)30-4/h5-10,17H,1-4H3,(H,21,23,25)(H,22,24,26)