N-[bis(azanyl)methylidene]-2-[4-[(2-cyano-9-ethyl-purin-6-yl)amino]phenyl]ethanamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-[4-[(2-cyano-9-ethyl-purin-6-yl)amino]phenyl]ethanamide Openeye Name: 2-[4-[(2-cyano-9-ethyl-purin-6-yl)amino]phenyl]-N-(diaminomethylene)acetamide CAS Name: 2-[4-[(2-cyano-9-ethyl-6-purinyl)amino]phenyl]-N-(diaminomethylidene)acetamide IUPAC Name: 2-[4-[(2-cyano-9-ethylpurin-6-yl)amino]phenyl]-N-(diaminomethylidene)acetamide Traditional Name: 2-[4-[(2-cyano-9-ethyl-purin-6-yl)amino]phenyl]-N-(diaminomethylene)acetamide Formula: C17H17N9O MolecularWeight: 363.37658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)CC(=O)N=C(N)N)C#N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)CC(=O)N=C(N)N)C#N

InChI

InChI=1S/C17H17N9O/c1-2-26-9-21-14-15(23-12(8-18)24-16(14)26)22-11-5-3-10(4-6-11)7-13(27)25-17(19)20/h3-6,9H,2,7H2,1H3,(H,22,23,24)(H4,19,20,25,27)