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

Systemtic Name: 5-(naphthalen-2-ylsulfanylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-(2-naphthylsulfanylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[(2-naphthalenylthio)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-(naphthalen-2-ylsulfanylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(2-naphthylthio)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C17H15N5S MolecularWeight: 321.3995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCC3=CNC4=C3C(=NC(=N4)N)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCC3=CNC4=C3C(=NC(=N4)N)N

InChI

InChI=1S/C17H15N5S/c18-15-14-12(8-20-16(14)22-17(19)21-15)9-23-13-6-5-10-3-1-2-4-11(10)7-13/h1-8H,9H2,(H5,18,19,20,21,22)