9-butyl-1-methyl-8-phenyl-3H-purine-2,6-dione

Systemtic Name: 9-butyl-1-methyl-8-phenyl-3H-purine-2,6-dione Openeye Name: 9-butyl-1-methyl-8-phenyl-3H-purine-2,6-dione CAS Name: 9-butyl-1-methyl-8-phenyl-3H-purine-2,6-dione IUPAC Name: 9-butyl-1-methyl-8-phenyl-3H-purine-2,6-dione Traditional Name: 9-butyl-1-methyl-8-phenyl-xanthine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c1-3-4-10-20-13(11-8-6-5-7-9-11)17-12-14(20)18-16(22)19(2)15(12)21/h5-9H,3-4,10H2,1-2H3,(H,18,22)