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

Systemtic Name: 1-(2-methoxyethyl)-3-methyl-7-(phenylmethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-benzyl-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-(2-methoxyethyl)-3-methyl-7-(phenylmethyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-benzyl-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CCOC)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CCOC)C

InChI

InChI=1S/C22H26N6O3/c1-14-15(2)24-28(16(14)3)21-23-19-18(27(21)13-17-9-7-6-8-10-17)20(29)26(11-12-31-5)22(30)25(19)4/h6-10H,11-13H2,1-5H3