3-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile

Systemtic Name: 3-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-[3-methyl-8-(morpholinomethyl)-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[3-methyl-8-(4-morpholinylmethyl)-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[2,6-diketo-3-methyl-8-(morpholinomethyl)purin-7-yl]propionitrile Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CCC#N

InChI

InChI=1S/C14H18N6O3/c1-18-12-11(13(21)17-14(18)22)20(4-2-3-15)10(16-12)9-19-5-7-23-8-6-19/h2,4-9H2,1H3,(H,17,21,22)