2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-ynyl-purin-8-yl]-4-oxidanyl-pyrazol-3-yl]ethanenitrile

Systemtic Name: 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-ynyl-purin-8-yl]-4-oxidanyl-pyrazol-3-yl]ethanenitrile Openeye Name: 2-[2-(1,3-dimethyl-2,6-dioxo-7-prop-2-ynyl-purin-8-yl)-4-hydroxy-pyrazol-3-yl]acetonitrile CAS Name: 2-[2-(1,3-dimethyl-2,6-dioxo-7-prop-2-ynyl-8-purinyl)-4-hydroxy-3-pyrazolyl]acetonitrile IUPAC Name: 2-[2-(1,3-dimethyl-2,6-dioxo-7-prop-2-ynylpurin-8-yl)-4-hydroxypyrazol-3-yl]acetonitrile Traditional Name: 2-[2-(2,6-diketo-1,3-dimethyl-7-propargyl-purin-8-yl)-4-hydroxy-pyrazol-3-yl]acetonitrile Formula: C15H13N7O3 MolecularWeight: 339.30882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C(=C(C=N3)O)CC#N)CC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C(=C(C=N3)O)CC#N)CC#C

InChI

InChI=1S/C15H13N7O3/c1-4-7-21-11-12(19(2)15(25)20(3)13(11)24)18-14(21)22-9(5-6-16)10(23)8-17-22/h1,8,23H,5,7H2,2-3H3