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

Systemtic Name: 2-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-(1,3-benzothiazol-5-ylamino)pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzothiazol-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-(1,3-benzothiazol-5-ylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(1,3-benzothiazol-5-ylamino)pyrimidine-5-carboxamide Traditional Name: 4-(1,3-benzothiazol-5-ylamino)-2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]pyrimidine-5-carboxamide Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC1=NC=C(C(=N1)NC2=CC3=C(C=C2)SC=N3)C(=O)N

Isomeric SMILES

CC(C)C[C@H](C(=O)N)NC1=NC=C(C(=N1)NC2=CC3=C(C=C2)SC=N3)C(=O)N

InChI

InChI=1S/C18H21N7O2S/c1-9(2)5-13(16(20)27)24-18-21-7-11(15(19)26)17(25-18)23-10-3-4-14-12(6-10)22-8-28-14/h3-4,6-9,13H,5H2,1-2H3,(H2,19,26)(H2,20,27)(H2,21,23,24,25)/t13-/m1/s1