tert-butyl N-[(2S)-1-[(6-azanyl-5-phenyldiazenyl-pyridin-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(6-azanyl-5-phenyldiazenyl-pyridin-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(6-amino-5-phenylazo-2-pyridyl)carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(6-amino-5-phenyldiazenylpyridin-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(6-amino-5-phenylazo-2-pyridyl)carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC(=C(C=C1)N=NC2=CC=CC=C2)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC(=C(C=C1)N=NC2=CC=CC=C2)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N6O3/c1-13(2)17(25-20(29)30-21(3,4)5)19(28)24-16-12-11-15(18(22)23-16)27-26-14-9-7-6-8-10-14/h6-13,17H,1-5H3,(H,25,29)(H3,22,23,24,28)/t17-/m0/s1