1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(p-tolyl)ethyl]-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-keto-2-(p-tolyl)ethyl]-1,3-dimethyl-8-pyrrolidino-xanthine Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2N4CCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2N4CCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H23N5O3/c1-13-6-8-14(9-7-13)15(26)12-25-16-17(21-19(25)24-10-4-5-11-24)22(2)20(28)23(3)18(16)27/h6-9H,4-5,10-12H2,1-3H3