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

Systemtic Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 9-(2-methoxy-5-methylphenyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 9-(2-methoxy-5-methylphenyl)-1-methyl-3-pentyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-amyl-9-(2-methoxy-5-methyl-phenyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=C(C=CC(=C4)C)OC)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=C(C=CC(=C4)C)OC)N(C1=O)C

InChI

InChI=1S/C22H29N5O3/c1-5-6-7-11-27-20(28)18-19(24(3)22(27)29)23-21-25(12-8-13-26(18)21)16-14-15(2)9-10-17(16)30-4/h9-10,14H,5-8,11-13H2,1-4H3/p+1