7-(6-azanylhexanoyl)-1,3-dimethyl-8-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)purine-2,6-dione

Systemtic Name: 7-(6-azanylhexanoyl)-1,3-dimethyl-8-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)purine-2,6-dione Openeye Name: 7-(6-aminohexanoyl)-1,3-dimethyl-8-(3-methyl-5-oxo-4H-pyrazol-1-yl)purine-2,6-dione CAS Name: 7-(6-amino-1-oxohexyl)-1,3-dimethyl-8-(3-methyl-5-oxo-4H-pyrazol-1-yl)purine-2,6-dione IUPAC Name: 7-(6-aminohexanoyl)-1,3-dimethyl-8-(3-methyl-5-oxo-4H-pyrazol-1-yl)purine-2,6-dione Traditional Name: 7-(6-aminohexanoyl)-8-(5-keto-3-methyl-2-pyrazolin-1-yl)-1,3-dimethyl-xanthine Formula: C17H23N7O4 MolecularWeight: 389.40902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=NC3=C(N2C(=O)CCCCCN)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=NN(C(=O)C1)C2=NC3=C(N2C(=O)CCCCCN)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H23N7O4/c1-10-9-12(26)24(20-10)16-19-14-13(15(27)22(3)17(28)21(14)2)23(16)11(25)7-5-4-6-8-18/h4-9,18H2,1-3H3