9-propyl-1-prop-2-ynyl-3H-purine-2,6-dione

Systemtic Name: 9-propyl-1-prop-2-ynyl-3H-purine-2,6-dione Openeye Name: 9-propyl-1-prop-2-ynyl-3H-purine-2,6-dione CAS Name: 9-propyl-1-prop-2-ynyl-3H-purine-2,6-dione IUPAC Name: 9-propyl-1-prop-2-ynyl-3H-purine-2,6-dione Traditional Name: 1-propargyl-9-propyl-xanthine Formula: C11H12N4O2 MolecularWeight: 232.23858

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1NC(=O)N(C2=O)CC#C

Isomeric SMILES

CCCN1C=NC2=C1NC(=O)N(C2=O)CC#C

InChI

InChI=1S/C11H12N4O2/c1-3-5-14-7-12-8-9(14)13-11(17)15(6-4-2)10(8)16/h2,7H,3,5-6H2,1H3,(H,13,17)