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

Systemtic Name: 3-ethyl-1-methyl-9-(phenylmethyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Openeye Name: 9-benzyl-3-ethyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione CAS Name: 3-ethyl-1-methyl-9-(phenylmethyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione IUPAC Name: 9-benzyl-3-ethyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Traditional Name: 9-benzyl-3-ethyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-quinone Formula: C18H22N5O2+ MolecularWeight: 340.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C18H21N5O2/c1-3-22-16(24)14-15(20(2)18(22)25)19-17-21(10-7-11-23(14)17)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3/p+1