1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(1-methyl-2-oxo-propyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-oxobutan-2-yl)-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione Traditional Name: 8-[(4-benzylpiperazino)methyl]-7-(2-keto-1-methyl-propyl)-1,3-dimethyl-xanthine Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N6O3/c1-16(17(2)30)29-19(24-21-20(29)22(31)26(4)23(32)25(21)3)15-28-12-10-27(11-13-28)14-18-8-6-5-7-9-18/h5-9,16H,10-15H2,1-4H3