(7R)-1,7-dimethyl-3-pentyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione

Systemtic Name: (7R)-1,7-dimethyl-3-pentyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: (7R)-1,7-dimethyl-3-pentyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: (7R)-1,7-dimethyl-3-pentyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: (7R)-1,7-dimethyl-3-pentyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: (7R)-3-amyl-1,7-dimethyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(NC3=[N+]2CC(CN3C4=CC=CC=C4)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(NC3=[N+]2C[C@@H](CN3C4=CC=CC=C4)C)N(C1=O)C

InChI

InChI=1S/C21H27N5O2/c1-4-5-9-12-24-19(27)17-18(23(3)21(24)28)22-20-25(13-15(2)14-26(17)20)16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-14H2,1-3H3/p+1/t15-/m1/s1