3-methyl-8-(phenethylamino)-7-propyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 3-methyl-8-(phenethylamino)-7-propyl-9H-purin-7-ium-2,6-dione Openeye Name: 3-methyl-8-(phenethylamino)-7-propyl-9H-purin-7-ium-2,6-dione CAS Name: 3-methyl-8-(phenethylamino)-7-propyl-9H-purin-7-ium-2,6-dione IUPAC Name: 3-methyl-8-(phenethylamino)-7-propyl-9H-purin-7-ium-2,6-dione Traditional Name: 3-methyl-8-(phenethylamino)-7-propyl-9H-purin-7-ium-2,6-quinone Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(NC2=C1C(=O)NC(=O)N2C)NCCC3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=C(NC2=C1C(=O)NC(=O)N2C)NCCC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2/c1-3-11-22-13-14(21(2)17(24)20-15(13)23)19-16(22)18-10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,18,19,20,23,24)/p+1