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

Systemtic Name: 5-[[(2,5-dibutylphenyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-[(2,5-dibutylanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[(2,5-dibutylanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-[(2,5-dibutylanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: (2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl-(2,5-dibutylphenyl)amine Formula: C21H30N6 MolecularWeight: 366.5031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)CCCC)NCC2=CNC3=C2C(=NC(=N3)N)N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)CCCC)NCC2=CNC3=C2C(=NC(=N3)N)N

InChI

InChI=1S/C21H30N6/c1-3-5-7-14-9-10-15(8-6-4-2)17(11-14)24-12-16-13-25-20-18(16)19(22)26-21(23)27-20/h9-11,13,24H,3-8,12H2,1-2H3,(H5,22,23,25,26,27)