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

Systemtic Name: 3-methyl-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-phenethyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C20H22N6O2/c1-12-13(2)23-26(14(12)3)19-21-17-16(18(27)22-20(28)24(17)4)25(19)11-10-15-8-6-5-7-9-15/h5-9H,10-11H2,1-4H3,(H,22,27,28)