6-azanyl-2-methyl-heptan-2-ol; 7-ethanoyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 6-azanyl-2-methyl-heptan-2-ol; 7-ethanoyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-acetyl-1,3-dimethyl-purine-2,6-dione; 6-amino-2-methyl-heptan-2-ol CAS Name: 7-acetyl-1,3-dimethylpurine-2,6-dione; 6-amino-2-methyl-2-heptanol IUPAC Name: 7-acetyl-1,3-dimethylpurine-2,6-dione; 6-amino-2-methylheptan-2-ol Traditional Name: 7-acetyl-1,3-dimethyl-xanthine; 6-amino-2-methyl-heptan-2-ol Formula: C17H29N5O4 MolecularWeight: 367.44326

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)N.CC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(CCCC(C)(C)O)N.CC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C9H10N4O3.C8H19NO/c1-5(14)13-4-10-7-6(13)8(15)12(3)9(16)11(7)2;1-7(9)5-4-6-8(2,3)10/h4H,1-3H3;7,10H,4-6,9H2,1-3H3