7-ethyl-3-methyl-1-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-1-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-1-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 7-ethyl-3-methyl-1-phenethyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-1-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-1-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N6O2/c1-6-26-18-19(23-21(26)28-16(4)14(2)15(3)24-28)25(5)22(30)27(20(18)29)13-12-17-10-8-7-9-11-17/h7-11H,6,12-13H2,1-5H3