6-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]-7H-purine

Systemtic Name: 6-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]-7H-purine Openeye Name: 6-[4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]piperazin-1-yl]-7H-purine CAS Name: 6-[4-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-1-piperazinyl]-7H-purine IUPAC Name: 6-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]-7H-purine Traditional Name: 6-[4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]piperazino]-7H-purine Formula: C20H27N9 MolecularWeight: 393.48868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)C4=NC=NC5=C4NC=N5)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)C4=NC=NC5=C4NC=N5)C

InChI

InChI=1S/C20H27N9/c1-14-11-15(2)26-20(25-14)29-5-3-16(4-6-29)27-7-9-28(10-8-27)19-17-18(22-12-21-17)23-13-24-19/h11-13,16H,3-10H2,1-2H3,(H,21,22,23,24)