3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propanenitrile

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propanenitrile Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propanenitrile CAS Name: 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propanenitrile IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanenitrile Traditional Name: 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propionitrile Formula: C10H11N5O2 MolecularWeight: 233.22664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC#N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC#N

InChI

InChI=1S/C10H11N5O2/c1-13-6-12-8-7(13)9(16)15(5-3-4-11)10(17)14(8)2/h6H,3,5H2,1-2H3