3-methyl-1,7-bis(prop-2-ynyl)purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(prop-2-ynyl)purine-2,6-dione Openeye Name: 3-methyl-1,7-bis(prop-2-ynyl)purine-2,6-dione CAS Name: 3-methyl-1,7-bis(prop-2-ynyl)purine-2,6-dione IUPAC Name: 3-methyl-1,7-bis(prop-2-ynyl)purine-2,6-dione Traditional Name: 3-methyl-1,7-dipropargyl-xanthine Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC#C)N(C=N2)CC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC#C)N(C=N2)CC#C

InChI

InChI=1S/C12H10N4O2/c1-4-6-15-8-13-10-9(15)11(17)16(7-5-2)12(18)14(10)3/h1-2,8H,6-7H2,3H3