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

Systemtic Name: 1-butyl-3-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 3-benzyl-1-butyl-7H-purine-2,6-dione CAS Name: 1-butyl-3-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-benzyl-1-butyl-7H-purine-2,6-dione Traditional Name: 3-benzyl-1-butyl-7H-purine-2,6-quinone Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2)N(C1=O)CC3=CC=CC=C3

InChI

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