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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC=N2

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC=N2

InChI

InChI=1S/C16H18N4O2/c1-11(2)8-19-14-13(17-10-18-14)15(21)20(16(19)22)9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,18)