tert-butyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: tert-butyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylamino]-3-methyl-butanoate Openeye Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]amino]-3-methyl-butanoate CAS Name: 2-[[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]-oxomethyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]amino]-3-methylbutanoate Traditional Name: 2-[[4-[amidino(chloro)amino]isoquinoline-7-carbonyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C20H26ClN5O3 MolecularWeight: 419.90514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NC(=O)C1=CC2=CN=CC(=C2C=C1)N(C(=N)N)Cl

Isomeric SMILES

CC(C)C(C(=O)OC(C)(C)C)NC(=O)C1=CC2=CN=CC(=C2C=C1)N(C(=N)N)Cl

InChI

InChI=1S/C20H26ClN5O3/c1-11(2)16(18(28)29-20(3,4)5)25-17(27)12-6-7-14-13(8-12)9-24-10-15(14)26(21)19(22)23/h6-11,16H,1-5H3,(H3,22,23)(H,25,27)