3-methyl-8-(4-methylpiperazin-1-yl)-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(4-methylpiperazino)xanthine Formula: C14H22N6O3 MolecularWeight: 322.36288

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCN(CC3)C)N(C(=O)NC2=O)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1N3CCN(CC3)C)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C14H22N6O3/c1-9(21)8-20-10-11(18(3)14(23)16-12(10)22)15-13(20)19-6-4-17(2)5-7-19/h9,21H,4-8H2,1-3H3,(H,16,22,23)/t9-/m1/s1