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

Systemtic Name: 3-[1-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]propanenitrile Openeye Name: 3-(1-methyl-2,6-dioxo-3-propyl-purin-7-yl)propanenitrile CAS Name: 3-(1-methyl-2,6-dioxo-3-propyl-7-purinyl)propanenitrile IUPAC Name: 3-(1-methyl-2,6-dioxo-3-propylpurin-7-yl)propanenitrile Traditional Name: 3-(2,6-diketo-1-methyl-3-propyl-purin-7-yl)propionitrile Formula: C12H15N5O2 MolecularWeight: 261.2798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O2/c1-3-6-17-10-9(11(18)15(2)12(17)19)16(8-14-10)7-4-5-13/h8H,3-4,6-7H2,1-2H3