methyl 4-[[(2-azanyl-6-chloranyl-pyrimidin-4-yl)-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-azanyl-6-chloranyl-pyrimidin-4-yl)-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(2-amino-6-chloro-pyrimidin-4-yl)-methyl-amino]methyl]benzoate CAS Name: 4-[[(2-amino-6-chloro-4-pyrimidinyl)-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-amino-6-chloropyrimidin-4-yl)-methylamino]methyl]benzoate Traditional Name: 4-[[(2-amino-6-chloro-pyrimidin-4-yl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C14H15ClN4O2 MolecularWeight: 306.7475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C2=CC(=NC(=N2)N)Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C2=CC(=NC(=N2)N)Cl

InChI

InChI=1S/C14H15ClN4O2/c1-19(12-7-11(15)17-14(16)18-12)8-9-3-5-10(6-4-9)13(20)21-2/h3-7H,8H2,1-2H3,(H2,16,17,18)