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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)C

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)C

InChI

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