N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-9-propan-2-yl-purin-6-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-9-propan-2-yl-purin-6-amine Openeye Name: 9-isopropyl-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)purin-6-amine CAS Name: N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1-piperazinyl)-9-propan-2-yl-6-purinamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-9-propan-2-ylpurin-6-amine Traditional Name: [9-isopropyl-2-(4-methylpiperazino)purin-6-yl]-p-anisyl-amine Formula: C21H29N7O MolecularWeight: 395.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N4CCN(CC4)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N4CCN(CC4)C

InChI

InChI=1S/C21H29N7O/c1-15(2)28-14-23-18-19(22-13-16-5-7-17(29-4)8-6-16)24-21(25-20(18)28)27-11-9-26(3)10-12-27/h5-8,14-15H,9-13H2,1-4H3,(H,22,24,25)