N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-7H-purin-6-amine

Systemtic Name: N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-7H-purin-6-amine Openeye Name: N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-7H-purin-6-amine CAS Name: N-(4-methoxyphenyl)-2-(4-phenyl-1-piperazinyl)-7H-purin-6-amine IUPAC Name: N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-7H-purin-6-amine Traditional Name: (4-methoxyphenyl)-[2-(4-phenylpiperazino)-7H-purin-6-yl]amine Formula: C22H23N7O MolecularWeight: 401.46432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N7O/c1-30-18-9-7-16(8-10-18)25-21-19-20(24-15-23-19)26-22(27-21)29-13-11-28(12-14-29)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,23,24,25,26,27)