N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C15H18N6O3 MolecularWeight: 330.34182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H18N6O3/c1-15(7-16,9-4-5-9)18-10(22)6-21-8-17-12-11(21)13(23)20(3)14(24)19(12)2/h8-9H,4-6H2,1-3H3,(H,18,22)/t15-/m0/s1