2-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-(2,1,3-benzothiadiazol-5-ylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-(2,1,3-benzothiadiazol-5-ylamino)pyrimidine-5-carboxamide Openeye Name: 4-(2,1,3-benzothiadiazol-5-ylamino)-2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]pyrimidine-5-carboxamide CAS Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(2,1,3-benzothiadiazol-5-ylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(2,1,3-benzothiadiazol-5-ylamino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-4-(piazthiol-5-ylamino)pyrimidine-5-carboxamide Formula: C17H20N8O2S MolecularWeight: 400.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC1=NC=C(C(=N1)NC2=CC3=NSN=C3C=C2)C(=O)N

Isomeric SMILES

CC(C)C[C@H](C(=O)N)NC1=NC=C(C(=N1)NC2=CC3=NSN=C3C=C2)C(=O)N

InChI

InChI=1S/C17H20N8O2S/c1-8(2)5-13(15(19)27)22-17-20-7-10(14(18)26)16(23-17)21-9-3-4-11-12(6-9)25-28-24-11/h3-4,6-8,13H,5H2,1-2H3,(H2,18,26)(H2,19,27)(H2,20,21,22,23)/t13-/m1/s1