9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione

Systemtic Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Openeye Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-3-isopentyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione CAS Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione IUPAC Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Traditional Name: 9-homoveratryl-3-isoamyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-quinone Formula: C24H34N5O4+ MolecularWeight: 456.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(NC3=[N+](CCCN23)CCC4=CC(=C(C=C4)OC)OC)N(C1=O)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(NC3=[N+](CCCN23)CCC4=CC(=C(C=C4)OC)OC)N(C1=O)C

InChI

InChI=1S/C24H33N5O4/c1-16(2)9-14-29-22(30)20-21(26(3)24(29)31)25-23-27(11-6-12-28(20)23)13-10-17-7-8-18(32-4)19(15-17)33-5/h7-8,15-16H,6,9-14H2,1-5H3/p+1