3-butyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione

Systemtic Name: 3-butyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione Openeye Name: 3-butyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione CAS Name: 3-butyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione IUPAC Name: 3-butyl-1,7-dimethyl-8-(methylamino)purine-2,6-dione Traditional Name: 3-butyl-1,7-dimethyl-8-(methylamino)xanthine Formula: C12H19N5O2 MolecularWeight: 265.31156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC)C

InChI

InChI=1S/C12H19N5O2/c1-5-6-7-17-9-8(10(18)16(4)12(17)19)15(3)11(13-2)14-9/h5-7H2,1-4H3,(H,13,14)