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

Systemtic Name: 1-ethyl-3-methyl-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-allyl-1-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-ethyl-3-methyl-7-prop-2-enyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-ethyl-3-methyl-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-allyl-1-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC=C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC=C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

InChI

InChI=1S/C17H22N6O2/c1-7-9-22-13-14(20(6)17(25)21(8-2)15(13)24)18-16(22)23-12(5)10(3)11(4)19-23/h7H,1,8-9H2,2-6H3