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

Systemtic Name: 1-methyl-9-(4-phenoxyphenyl)-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 1-methyl-9-(4-phenoxyphenyl)-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 1-methyl-9-(4-phenoxyphenyl)-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 1-methyl-9-(4-phenoxyphenyl)-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 1-methyl-9-(4-phenoxyphenyl)-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C24H26N5O3+ MolecularWeight: 432.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

InChI

InChI=1S/C24H25N5O3/c1-3-14-29-22(30)20-21(26(2)24(29)31)25-23-27(15-7-16-28(20)23)17-10-12-19(13-11-17)32-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-16H2,1-2H3/p+1