tert-butyl N-[4-[2,3-bis(azanyl)pyridin-4-yl]sulfanylphenyl]carbamate

Systemtic Name: tert-butyl N-[4-[2,3-bis(azanyl)pyridin-4-yl]sulfanylphenyl]carbamate Openeye Name: tert-butyl N-[4-[(2,3-diamino-4-pyridyl)sulfanyl]phenyl]carbamate CAS Name: N-[4-[(2,3-diamino-4-pyridinyl)thio]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2,3-diaminopyridin-4-yl)sulfanylphenyl]carbamate Traditional Name: N-[4-[(2,3-diamino-4-pyridyl)thio]phenyl]carbamic acid tert-butyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)SC2=C(C(=NC=C2)N)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)SC2=C(C(=NC=C2)N)N

InChI

InChI=1S/C16H20N4O2S/c1-16(2,3)22-15(21)20-10-4-6-11(7-5-10)23-12-8-9-19-14(18)13(12)17/h4-9H,17H2,1-3H3,(H2,18,19)(H,20,21)