9-(furan-2-ylmethyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione

Systemtic Name: 9-(furan-2-ylmethyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Openeye Name: 9-(2-furylmethyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione CAS Name: 9-(2-furanylmethyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione IUPAC Name: 9-(furan-2-ylmethyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Traditional Name: 3-amyl-9-(2-furfuryl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-quinone Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CO4)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CO4)N(C1=O)C

InChI

InChI=1S/C19H25N5O3/c1-3-4-5-10-24-17(25)15-16(21(2)19(24)26)20-18-22(9-7-11-23(15)18)13-14-8-6-12-27-14/h6,8,12H,3-5,7,9-11,13H2,1-2H3/p+1