5-[(3,4-dimethoxy-5-pyrimidin-5-yl-phenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(3,4-dimethoxy-5-pyrimidin-5-yl-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(3,4-dimethoxy-5-pyrimidin-5-yl-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,4-dimethoxy-5-(5-pyrimidinyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,4-dimethoxy-5-pyrimidin-5-ylphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,4-dimethoxy-5-(5-pyrimidyl)benzyl]pyrimidin-4-yl]amine Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CN=CN=C3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CN=CN=C3)OC

InChI

InChI=1S/C17H18N6O2/c1-24-14-5-10(3-11-8-22-17(19)23-16(11)18)4-13(15(14)25-2)12-6-20-9-21-7-12/h4-9H,3H2,1-2H3,(H4,18,19,22,23)