ethyl (NE)-N-[azanyl-[(3-azanyl-6-chloranyl-5-pyrrolidin-1-yl-pyrazin-2-yl)carbonylamino]methylidene]carbamate

Systemtic Name: ethyl (NE)-N-[azanyl-[(3-azanyl-6-chloranyl-5-pyrrolidin-1-yl-pyrazin-2-yl)carbonylamino]methylidene]carbamate Openeye Name: ethyl (NE)-N-[amino-[(3-amino-6-chloro-5-pyrrolidin-1-yl-pyrazine-2-carbonyl)amino]methylene]carbamate CAS Name: (NE)-N-[amino-[[[3-amino-6-chloro-5-(1-pyrrolidinyl)-2-pyrazinyl]-oxomethyl]amino]methylidene]carbamic acid ethyl ester IUPAC Name: ethyl (NE)-N-[amino-[(3-amino-6-chloro-5-pyrrolidin-1-ylpyrazine-2-carbonyl)amino]methylidene]carbamate Traditional Name: (NE)-N-[amino-[(3-amino-6-chloro-5-pyrrolidino-pyrazinoyl)amino]methylene]carbamic acid ethyl ester Formula: C13H18ClN7O3 MolecularWeight: 355.78012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C(N)NC(=O)C1=C(N=C(C(=N1)Cl)N2CCCC2)N

Isomeric SMILES

CCOC(=O)/N=C(\N)/NC(=O)C1=C(N=C(C(=N1)Cl)N2CCCC2)N

InChI

InChI=1S/C13H18ClN7O3/c1-2-24-13(23)20-12(16)19-11(22)7-9(15)18-10(8(14)17-7)21-5-3-4-6-21/h2-6H2,1H3,(H2,15,18)(H3,16,19,20,22,23)