1-butyl-3-(3-methoxyphenyl)-7H-purine-2,6-dione

Systemtic Name: 1-butyl-3-(3-methoxyphenyl)-7H-purine-2,6-dione Openeye Name: 1-butyl-3-(3-methoxyphenyl)-7H-purine-2,6-dione CAS Name: 1-butyl-3-(3-methoxyphenyl)-7H-purine-2,6-dione IUPAC Name: 1-butyl-3-(3-methoxyphenyl)-7H-purine-2,6-dione Traditional Name: 1-butyl-3-(3-methoxyphenyl)-7H-purine-2,6-quinone Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C16H18N4O3/c1-3-4-8-19-15(21)13-14(18-10-17-13)20(16(19)22)11-6-5-7-12(9-11)23-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,18)