1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-phenyl-1-piperazinyl)methyl]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-1,3-dimethyl-8-[(4-phenylpiperazino)methyl]xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O2/c1-15(2)27-17(22-19-18(27)20(28)24(4)21(29)23(19)3)14-25-10-12-26(13-11-25)16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3