3-butyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione

Systemtic Name: 3-butyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 3-butyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 3-butyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 3-butyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-butyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C19H23N5O2/c1-3-4-11-24-17(25)15-16(21(2)19(24)26)20-18-22(12-8-13-23(15)18)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3/p+1