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

Systemtic Name: 7-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(2,3-dimethylphenyl)piperazino]-3-keto-propyl]-1,3-dimethyl-xanthine Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

InChI

InChI=1S/C22H28N6O3/c1-15-6-5-7-17(16(15)2)26-10-12-27(13-11-26)18(29)8-9-28-14-23-20-19(28)21(30)25(4)22(31)24(20)3/h5-7,14H,8-13H2,1-4H3