ethyl N-[[3-azanyl-5-(butylamino)-6-chloranyl-pyrazin-2-yl]carbonyliminomethylamino]carbamate

Systemtic Name: ethyl N-[[3-azanyl-5-(butylamino)-6-chloranyl-pyrazin-2-yl]carbonyliminomethylamino]carbamate Openeye Name: ethyl N-[[3-amino-5-(butylamino)-6-chloro-pyrazine-2-carbonyl]iminomethylamino]carbamate CAS Name: N-[[[3-amino-5-(butylamino)-6-chloro-2-pyrazinyl]-oxomethyl]iminomethylamino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[3-amino-5-(butylamino)-6-chloropyrazine-2-carbonyl]iminomethylamino]carbamate Traditional Name: N-[[3-amino-5-(butylamino)-6-chloro-pyrazinoyl]iminomethylamino]carbamic acid ethyl ester Formula: C13H20ClN7O3 MolecularWeight: 357.796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=C(N=C1Cl)C(=O)N=CNNC(=O)OCC)N

Isomeric SMILES

CCCCNC1=NC(=C(N=C1Cl)C(=O)N=CNNC(=O)OCC)N

InChI

InChI=1S/C13H20ClN7O3/c1-3-5-6-16-11-9(14)19-8(10(15)20-11)12(22)17-7-18-21-13(23)24-4-2/h7H,3-6H2,1-2H3,(H,21,23)(H3,15,16,20)(H,17,18,22)