4-[[6-chloranyl-5-(diethanoylamino)pyrimidin-4-yl]amino]-N-ethanoyl-benzonitrilium

Systemtic Name: 4-[[6-chloranyl-5-(diethanoylamino)pyrimidin-4-yl]amino]-N-ethanoyl-benzonitrilium Openeye Name: N-acetyl-4-[[6-chloro-5-(diacetylamino)pyrimidin-4-yl]amino]benzonitrilium CAS Name: N-acetyl-4-[[6-chloro-5-(diacetylamino)-4-pyrimidinyl]amino]benzonitrilium IUPAC Name: N-acetyl-4-[[6-chloro-5-(diacetylamino)pyrimidin-4-yl]amino]benzonitrilium Traditional Name: N-acetyl-4-[[6-chloro-5-(diacetylamino)pyrimidin-4-yl]amino]benzonitrilium Formula: C17H15ClN5O3+ MolecularWeight: 372.7857

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]#CC1=CC=C(C=C1)NC2=C(C(=NC=N2)Cl)N(C(=O)C)C(=O)C

Isomeric SMILES

CC(=O)[N+]#CC1=CC=C(C=C1)NC2=C(C(=NC=N2)Cl)N(C(=O)C)C(=O)C

InChI

InChI=1S/C17H14ClN5O3/c1-10(24)19-8-13-4-6-14(7-5-13)22-17-15(16(18)20-9-21-17)23(11(2)25)12(3)26/h4-7,9H,1-3H3/p+1