7-methyl-8-(phenylmethyl)-1-propan-2-yl-3-propyl-purine-2,6-dione

Systemtic Name: 7-methyl-8-(phenylmethyl)-1-propan-2-yl-3-propyl-purine-2,6-dione Openeye Name: 8-benzyl-1-isopropyl-7-methyl-3-propyl-purine-2,6-dione CAS Name: 7-methyl-8-(phenylmethyl)-1-propan-2-yl-3-propylpurine-2,6-dione IUPAC Name: 8-benzyl-7-methyl-1-propan-2-yl-3-propylpurine-2,6-dione Traditional Name: 8-benzyl-1-isopropyl-7-methyl-3-propyl-xanthine Formula: C19H24N4O2 MolecularWeight: 340.41946

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C(C)C)N(C(=N2)CC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C(C)C)N(C(=N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H24N4O2/c1-5-11-22-17-16(18(24)23(13(2)3)19(22)25)21(4)15(20-17)12-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3