1-[4-azido-6-(tert-butylamino)-1,3,5-triazin-2-yl]-3-(2-chlorophenyl)sulfonyl-urea

Systemtic Name: 1-[4-azido-6-(tert-butylamino)-1,3,5-triazin-2-yl]-3-(2-chlorophenyl)sulfonyl-urea Openeye Name: 1-[4-azido-6-(tert-butylamino)-1,3,5-triazin-2-yl]-3-(2-chlorophenyl)sulfonyl-urea CAS Name: 1-[4-azido-6-(tert-butylamino)-1,3,5-triazin-2-yl]-3-(2-chlorophenyl)sulfonylurea IUPAC Name: 1-[4-azido-6-(tert-butylamino)-1,3,5-triazin-2-yl]-3-(2-chlorophenyl)sulfonylurea Traditional Name: 1-[4-azido-6-(tert-butylamino)-s-triazin-2-yl]-3-(2-chlorophenyl)sulfonyl-urea Formula: C14H16ClN9O3S MolecularWeight: 425.85334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)NC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl)N=[N+]=[N-]

InChI

InChI=1S/C14H16ClN9O3S/c1-14(2,3)21-11-17-10(18-12(19-11)22-24-16)20-13(25)23-28(26,27)9-7-5-4-6-8(9)15/h4-7H,1-3H3,(H3,17,18,19,20,21,23,25)