1-methyl-9-phenethyl-8-propyl-3,7-dihydropurin-9-ium-2,6-dione

Systemtic Name: 1-methyl-9-phenethyl-8-propyl-3,7-dihydropurin-9-ium-2,6-dione Openeye Name: 1-methyl-9-phenethyl-8-propyl-3,7-dihydropurin-9-ium-2,6-dione CAS Name: 1-methyl-9-phenethyl-8-propyl-3,7-dihydropurin-9-ium-2,6-dione IUPAC Name: 1-methyl-9-phenethyl-8-propyl-3,7-dihydropurin-9-ium-2,6-dione Traditional Name: 1-methyl-9-phenethyl-8-propyl-3,7-dihydropurin-9-ium-2,6-quinone Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=C(N1)C(=O)N(C(=O)N2)C)CCC3=CC=CC=C3

Isomeric SMILES

CCCC1=[N+](C2=C(N1)C(=O)N(C(=O)N2)C)CCC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2/c1-3-7-13-18-14-15(19-17(23)20(2)16(14)22)21(13)11-10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,19,22,23)/p+1