3-butan-2-yl-1-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-butan-2-yl-1-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-methyl-3-sec-butyl-purine-2,6-dione CAS Name: 3-butan-2-yl-1-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-butan-2-yl-1-methylpurine-2,6-dione Traditional Name: 7-benzyl-1-methyl-3-sec-butyl-xanthine Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)N1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2/c1-4-12(2)21-15-14(16(22)19(3)17(21)23)20(11-18-15)10-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3