5-[(naphthalen-1-ylamino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 5-[(naphthalen-1-ylamino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-[(1-naphthylamino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[(1-naphthalenylamino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-[(naphthalen-1-ylamino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: (2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl-(1-naphthyl)amine Formula: C17H16N6 MolecularWeight: 304.34914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NCC3=CNC4=C3C(=NC(=N4)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NCC3=CNC4=C3C(=NC(=N4)N)N

InChI

InChI=1S/C17H16N6/c18-15-14-11(9-21-16(14)23-17(19)22-15)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H5,18,19,21,22,23)