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

Systemtic Name: (7R)-9-(3,5-dimethylphenyl)-1,7-dimethyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: (7R)-9-(3,5-dimethylphenyl)-1,7-dimethyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: (7R)-9-(3,5-dimethylphenyl)-1,7-dimethyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: (7R)-9-(3,5-dimethylphenyl)-1,7-dimethyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: (7R)-9-(3,5-dimethylphenyl)-1,7-dimethyl-3-propyl-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:

CCCN1C(=O)C2=C(NC3=[N+]2CC(CN3C4=CC(=CC(=C4)C)C)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(NC3=[N+]2C[C@@H](CN3C4=CC(=CC(=C4)C)C)C)N(C1=O)C

InChI

InChI=1S/C21H27N5O2/c1-6-7-24-19(27)17-18(23(5)21(24)28)22-20-25(11-15(4)12-26(17)20)16-9-13(2)8-14(3)10-16/h8-10,15H,6-7,11-12H2,1-5H3/p+1/t15-/m1/s1