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

Systemtic Name: 1-methyl-9-(phenylmethyl)-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Openeye Name: 9-benzyl-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione CAS Name: 1-methyl-9-(phenylmethyl)-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione IUPAC Name: 9-benzyl-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Traditional Name: 9-benzyl-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-quinone Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C19H23N5O2/c1-3-10-24-17(25)15-16(21(2)19(24)26)20-18-22(11-7-12-23(15)18)13-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3/p+1