3-methyl-8-[(phenylmethyl)amino]-7-propan-2-yl-9H-purin-7-ium-2,6-dione

Systemtic Name: 3-methyl-8-[(phenylmethyl)amino]-7-propan-2-yl-9H-purin-7-ium-2,6-dione Openeye Name: 8-(benzylamino)-7-isopropyl-3-methyl-9H-purin-7-ium-2,6-dione CAS Name: 3-methyl-8-[(phenylmethyl)amino]-7-propan-2-yl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-(benzylamino)-3-methyl-7-propan-2-yl-9H-purin-7-ium-2,6-dione Traditional Name: 8-(benzylamino)-7-isopropyl-3-methyl-9H-purin-7-ium-2,6-quinone Formula: C16H20N5O2+ MolecularWeight: 314.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(NC2=C1C(=O)NC(=O)N2C)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)[N+]1=C(NC2=C1C(=O)NC(=O)N2C)NCC3=CC=CC=C3

InChI

InChI=1S/C16H19N5O2/c1-10(2)21-12-13(20(3)16(23)19-14(12)22)18-15(21)17-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,17,18,19,22,23)/p+1