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

Systemtic Name: 9-cyclohexyl-1-methyl-3-(3-oxidanylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-cyclohexyl-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 9-cyclohexyl-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-cyclohexyl-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-cyclohexyl-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C18H27N5O3+2 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC3=[N+](CCC[N+]3=C2C(=O)N(C1=O)CCCO)C4CCCCC4

Isomeric SMILES

CN1C2=NC3=[N+](CCC[N+]3=C2C(=O)N(C1=O)CCCO)C4CCCCC4

InChI

InChI=1S/C18H27N5O3/c1-20-15-14(16(25)23(18(20)26)11-6-12-24)22-10-5-9-21(17(22)19-15)13-7-3-2-4-8-13/h13,24H,2-12H2,1H3/q+2