1-methyl-7-prop-2-enyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-methyl-7-prop-2-enyl-3-propyl-purine-2,6-dione Openeye Name: 7-allyl-1-methyl-3-propyl-purine-2,6-dione CAS Name: 1-methyl-7-prop-2-enyl-3-propylpurine-2,6-dione IUPAC Name: 1-methyl-7-prop-2-enyl-3-propylpurine-2,6-dione Traditional Name: 7-allyl-1-methyl-3-propyl-xanthine Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2/c1-4-6-15-8-13-10-9(15)11(17)14(3)12(18)16(10)7-5-2/h4,8H,1,5-7H2,2-3H3