1,3-dipropyl-7-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 1,3-dipropyl-7-prop-2-ynyl-purine-2,6-dione Openeye Name: 1,3-dipropyl-7-prop-2-ynyl-purine-2,6-dione CAS Name: 1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione IUPAC Name: 1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione Traditional Name: 7-propargyl-1,3-dipropyl-xanthine Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2/c1-4-7-16-10-15-12-11(16)13(19)18(9-6-3)14(20)17(12)8-5-2/h1,10H,5-9H2,2-3H3