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

Systemtic Name: 3-methyl-1,7-dipropyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3-methyl-1,7-dipropyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-1,7-dipropyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-1,7-dipropyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3-methyl-1,7-dipropyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C18H26N6O2 MolecularWeight: 358.43804

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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)CCC)C

Isomeric SMILES

CCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CCC)C

InChI

InChI=1S/C18H26N6O2/c1-7-9-22-14-15(21(6)18(26)23(10-8-2)16(14)25)19-17(22)24-13(5)11(3)12(4)20-24/h7-10H2,1-6H3