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

Systemtic Name: 2-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[(3-methylsulfonylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-4-(3-methylsulfonylanilino)pyrimidine-5-carboxamide CAS Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3-methylsulfonylanilino)-5-pyrimidinecarboxamide IUPAC Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(3-methylsulfonylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-4-(3-mesylanilino)pyrimidine-5-carboxamide Formula: C18H24N6O4S MolecularWeight: 420.48596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC1=NC=C(C(=N1)NC2=CC(=CC=C2)S(=O)(=O)C)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O4S/c1-10(2)7-14(16(20)26)23-18-21-9-13(15(19)25)17(24-18)22-11-5-4-6-12(8-11)29(3,27)28/h4-6,8-10,14H,7H2,1-3H3,(H2,19,25)(H2,20,26)(H2,21,22,23,24)/t14-/m1/s1