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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2C(C)C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2C(C)C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

InChI

InChI=1S/C18H26N6O2/c1-8-9-22-16(25)14-15(21(7)18(22)26)19-17(23(14)10(2)3)24-13(6)11(4)12(5)20-24/h10H,8-9H2,1-7H3