N2-(2-azanylethyl)-9-ethyl-N6-(3-methoxyphenyl)purine-2,6-diamine

Systemtic Name: N2-(2-azanylethyl)-9-ethyl-N6-(3-methoxyphenyl)purine-2,6-diamine Openeye Name: N2-(2-aminoethyl)-9-ethyl-N6-(3-methoxyphenyl)purine-2,6-diamine CAS Name: N2-(2-aminoethyl)-9-ethyl-N6-(3-methoxyphenyl)purine-2,6-diamine IUPAC Name: 2-N-(2-aminoethyl)-9-ethyl-6-N-(3-methoxyphenyl)purine-2,6-diamine Traditional Name: 2-aminoethyl-[9-ethyl-6-(m-anisidino)purin-2-yl]amine Formula: C16H21N7O MolecularWeight: 327.38424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)OC)NCCN

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)OC)NCCN

InChI

InChI=1S/C16H21N7O/c1-3-23-10-19-13-14(20-11-5-4-6-12(9-11)24-2)21-16(18-8-7-17)22-15(13)23/h4-6,9-10H,3,7-8,17H2,1-2H3,(H2,18,20,21,22)