(4S,5R)-1,3-dimethyl-7-(3-oxidanylpropyl)-5,9-dihydro-4H-purin-7-ium-2,6-dione

Systemtic Name: (4S,5R)-1,3-dimethyl-7-(3-oxidanylpropyl)-5,9-dihydro-4H-purin-7-ium-2,6-dione Openeye Name: (4S,5R)-7-(3-hydroxypropyl)-1,3-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione CAS Name: (4S,5R)-7-(3-hydroxypropyl)-1,3-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione IUPAC Name: (4S,5R)-7-(3-hydroxypropyl)-1,3-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-dione Traditional Name: (4S,5R)-7-(3-hydroxypropyl)-1,3-dimethyl-5,9-dihydro-4H-purin-7-ium-2,6-quinone Formula: C10H17N4O3+ MolecularWeight: 241.26698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)[N+](=CN2)CCCO

Isomeric SMILES

CN1[C@H]2[C@H](C(=O)N(C1=O)C)[N+](=CN2)CCCO

InChI

InChI=1S/C10H16N4O3/c1-12-8-7(9(16)13(2)10(12)17)14(6-11-8)4-3-5-15/h6-8,15H,3-5H2,1-2H3/p+1/t7-,8+/m1/s1