7-(6-azanylhexanoyl)-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(6-azanylhexanoyl)-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(6-aminohexanoyl)-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(6-amino-1-oxohexyl)-8-(3,5-dimethyl-1-pyrazolyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(6-aminohexanoyl)-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(6-aminohexanoyl)-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-xanthine Formula: C18H25N7O3 MolecularWeight: 387.4362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C(=O)CCCCCN)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C(=O)CCCCCN)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C18H25N7O3/c1-11-10-12(2)25(21-11)17-20-15-14(16(27)23(4)18(28)22(15)3)24(17)13(26)8-6-5-7-9-19/h10H,5-9,19H2,1-4H3