1-[(4-methoxyphenyl)methyl]-3-methyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-methyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-methyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-[(4-methoxyphenyl)methyl]-3-methyl-7-propyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-methyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3-methyl-1-p-anisyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H28N6O3/c1-7-12-27-19-20(24-22(27)29-16(4)14(2)15(3)25-29)26(5)23(31)28(21(19)30)13-17-8-10-18(32-6)11-9-17/h8-11H,7,12-13H2,1-6H3