7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 7-methyl-1,3-dipropyl-xanthine Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)C

InChI

InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3