methyl (2S)-6-azanyl-2-[[3-(2-chloroethyl)-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]carbonylamino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[[3-(2-chloroethyl)-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazin-8-yl]carbonylamino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[[3-(2-chloroethyl)-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[[3-(2-chloroethyl)-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[[3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[[3-(2-chloroethyl)-4-keto-imidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl]amino]hexanoic acid methyl ester Formula: C14H20ClN7O4 MolecularWeight: 385.8061

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)NC(=O)C1=C2N=NN(C(=O)N2C=N1)CCCl

Isomeric SMILES

COC(=O)[C@H](CCCCN)NC(=O)C1=C2N=NN(C(=O)N2C=N1)CCCl

InChI

InChI=1S/C14H20ClN7O4/c1-26-13(24)9(4-2-3-6-16)18-12(23)10-11-19-20-22(7-5-15)14(25)21(11)8-17-10/h8-9H,2-7,16H2,1H3,(H,18,23)/t9-/m0/s1