9-ethanoyl-1-methyl-3-(5-oxidanylhexyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-ethanoyl-1-methyl-3-(5-oxidanylhexyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-acetyl-3-(5-hydroxyhexyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-acetyl-3-(5-hydroxyhexyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-acetyl-3-(5-hydroxyhexyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-acetyl-3-(5-hydroxyhexyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C3N2CCCN3C(=O)C)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C3N2CCCN3C(=O)C)N(C1=O)C)O

InChI

InChI=1S/C17H25N5O4/c1-11(23)7-4-5-8-22-15(25)13-14(19(3)17(22)26)18-16-20(12(2)24)9-6-10-21(13)16/h11,23H,4-10H2,1-3H3