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

Systemtic Name: 9-(furan-2-ylmethyl)-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Openeye Name: 9-(2-furylmethyl)-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione CAS Name: 9-(2-furanylmethyl)-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione IUPAC Name: 9-(furan-2-ylmethyl)-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Traditional Name: 9-(2-furfuryl)-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-quinone Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CO4)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CO4)N(C1=O)C

InChI

InChI=1S/C17H21N5O3/c1-3-7-22-15(23)13-14(19(2)17(22)24)18-16-20(8-5-9-21(13)16)11-12-6-4-10-25-12/h4,6,10H,3,5,7-9,11H2,1-2H3/p+1