N-[bis(azanyl)methylidene]-3-[4-[(2-cyano-9-ethyl-purin-6-yl)amino]phenyl]propanamide

Systemtic Name: N-[bis(azanyl)methylidene]-3-[4-[(2-cyano-9-ethyl-purin-6-yl)amino]phenyl]propanamide Openeye Name: 3-[4-[(2-cyano-9-ethyl-purin-6-yl)amino]phenyl]-N-(diaminomethylene)propanamide CAS Name: 3-[4-[(2-cyano-9-ethyl-6-purinyl)amino]phenyl]-N-(diaminomethylidene)propanamide IUPAC Name: 3-[4-[(2-cyano-9-ethylpurin-6-yl)amino]phenyl]-N-(diaminomethylidene)propanamide Traditional Name: 3-[4-[(2-cyano-9-ethyl-purin-6-yl)amino]phenyl]-N-(diaminomethylene)propionamide Formula: C18H19N9O MolecularWeight: 377.40316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N9O/c1-2-27-10-22-15-16(24-13(9-19)25-17(15)27)23-12-6-3-11(4-7-12)5-8-14(28)26-18(20)21/h3-4,6-7,10H,2,5,8H2,1H3,(H,23,24,25)(H4,20,21,26,28)