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

Systemtic Name: 5-[[(3,5-diethoxyphenyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-[(3,5-diethoxyanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[(3,5-diethoxyanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,5-diethoxyanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: (2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl-(3,5-diethoxyphenyl)amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)NCC2=CNC3=C2C(=NC(=N3)N)N)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)NCC2=CNC3=C2C(=NC(=N3)N)N)OCC

InChI

InChI=1S/C17H22N6O2/c1-3-24-12-5-11(6-13(7-12)25-4-2)20-8-10-9-21-16-14(10)15(18)22-17(19)23-16/h5-7,9,20H,3-4,8H2,1-2H3,(H5,18,19,21,22,23)