1,3-dimethyl-7-[3-(2-propylpiperazin-1-yl)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(2-propylpiperazin-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(2-propylpiperazin-1-yl)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(2-propyl-1-piperazinyl)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(2-propylpiperazin-1-yl)propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-(2-propylpiperazino)propyl]xanthine Formula: C17H28N6O2 MolecularWeight: 348.44322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CNCCN1CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC1CNCCN1CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H28N6O2/c1-4-6-13-11-18-7-10-22(13)8-5-9-23-12-19-15-14(23)16(24)21(3)17(25)20(15)2/h12-13,18H,4-11H2,1-3H3