1,3-dimethyl-8-(phenethylamino)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(phenethylamino)-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(phenethylamino)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(phenethylamino)-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-1,3-dimethyl-8-(phenethylamino)xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H23N5O2/c1-12(2)23-14-15(21(3)18(25)22(4)16(14)24)20-17(23)19-11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,19,20)