1,3,7-trimethyl-8-(phenethylamino)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(phenethylamino)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(phenethylamino)xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H19N5O2/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)17-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,18)