8-[(4-methoxyphenyl)methoxy]-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-[(4-methoxyphenyl)methoxy]-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-[(4-methoxyphenyl)methoxy]-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione CAS Name: 8-[(4-methoxyphenyl)methoxy]-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-[(4-methoxyphenyl)methoxy]-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 1,3,7-trimethyl-8-p-anisyloxy-9H-purin-7-ium-2,6-quinone Formula: C16H19N4O4+ MolecularWeight: 331.34646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)OCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)OCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C16H18N4O4/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)24-9-10-5-7-11(23-4)8-6-10/h5-8H,9H2,1-4H3/p+1