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

Systemtic Name: 9-(4-ethoxyphenyl)-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 9-(4-ethoxyphenyl)-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 9-(4-ethoxyphenyl)-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 9-(4-ethoxyphenyl)-1-methyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 1-methyl-9-p-phenetyl-3-propyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-4-11-25-18(26)16-17(22(3)20(25)27)21-19-23(12-6-13-24(16)19)14-7-9-15(10-8-14)28-5-2/h7-10H,4-6,11-13H2,1-3H3/p+1