5-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 5-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3,4,5-trimethoxybenzyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CNC3=C2C(=NC(=N3)N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CNC3=C2C(=NC(=N3)N)N

InChI

InChI=1S/C16H19N5O3/c1-22-10-5-8(6-11(23-2)13(10)24-3)4-9-7-19-15-12(9)14(17)20-16(18)21-15/h5-7H,4H2,1-3H3,(H5,17,18,19,20,21)