8-ethyl-1-methyl-3-phenethyl-7H-purine-2,6-dione

Systemtic Name: 8-ethyl-1-methyl-3-phenethyl-7H-purine-2,6-dione Openeye Name: 8-ethyl-1-methyl-3-phenethyl-7H-purine-2,6-dione CAS Name: 8-ethyl-1-methyl-3-phenethyl-7H-purine-2,6-dione IUPAC Name: 8-ethyl-1-methyl-3-phenethyl-7H-purine-2,6-dione Traditional Name: 8-ethyl-1-methyl-3-phenethyl-7H-purine-2,6-quinone Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=O)N(C(=O)N2CCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=NC2=C(N1)C(=O)N(C(=O)N2CCC3=CC=CC=C3)C

InChI

InChI=1S/C16H18N4O2/c1-3-12-17-13-14(18-12)20(16(22)19(2)15(13)21)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,17,18)