7-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylolphenyl)-8-piperazino-xanthine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4CO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4CO

InChI

InChI=1S/C18H22N6O3/c1-21-15-14(16(26)22(2)18(21)27)24(13-6-4-3-5-12(13)11-25)17(20-15)23-9-7-19-8-10-23/h3-6,19,25H,7-11H2,1-2H3