(7S)-1-methyl-7-oxidanyl-9-phenyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione

Systemtic Name: (7S)-1-methyl-7-oxidanyl-9-phenyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: (7S)-7-hydroxy-1-methyl-9-phenyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: (7S)-7-hydroxy-1-methyl-9-phenyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: (7S)-7-hydroxy-1-methyl-9-phenyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: (7S)-7-hydroxy-1-methyl-9-phenyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3/c1-3-9-21-16(25)14-15(20(2)18(21)26)19-17-22(10-13(24)11-23(14)17)12-7-5-4-6-8-12/h4-8,13,24H,3,9-11H2,1-2H3/p+1/t13-/m0/s1