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

Systemtic Name: ethyl N-[[3-azanyl-6-chloranyl-5-(propylamino)pyrazin-2-yl]carbonyliminomethylamino]carbamate Openeye Name: ethyl N-[[3-amino-6-chloro-5-(propylamino)pyrazine-2-carbonyl]iminomethylamino]carbamate CAS Name: N-[[[3-amino-6-chloro-5-(propylamino)-2-pyrazinyl]-oxomethyl]iminomethylamino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[3-amino-6-chloro-5-(propylamino)pyrazine-2-carbonyl]iminomethylamino]carbamate Traditional Name: N-[[3-amino-6-chloro-5-(propylamino)pyrazinoyl]iminomethylamino]carbamic acid ethyl ester Formula: C12H18ClN7O3 MolecularWeight: 343.76942

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=C(N=C1Cl)C(=O)N=CNNC(=O)OCC)N

Isomeric SMILES

CCCNC1=NC(=C(N=C1Cl)C(=O)N=CNNC(=O)OCC)N

InChI

InChI=1S/C12H18ClN7O3/c1-3-5-15-10-8(13)18-7(9(14)19-10)11(21)16-6-17-20-12(22)23-4-2/h6H,3-5H2,1-2H3,(H,20,22)(H3,14,15,19)(H,16,17,21)