1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-[4-(2,3-dimethylphenyl)piperazino]ethyl]-3,7-dimethyl-xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CCN3C(=O)C4=C(N=CN4C)N(C3=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CCN3C(=O)C4=C(N=CN4C)N(C3=O)C)C

InChI

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