2-[[4-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]phenyl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[[4-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]phenyl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Openeye Name: 2-[4-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide CAS Name: 2-[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]anilino]-4-(cyclopropylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Traditional Name: 2-[4-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Formula: C19H25N7O2 MolecularWeight: 383.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C(=O)N

InChI

InChI=1S/C19H25N7O2/c1-10(2)15(17(21)28)23-11-3-7-13(8-4-11)25-19-22-9-14(16(20)27)18(26-19)24-12-5-6-12/h3-4,7-10,12,15,23H,5-6H2,1-2H3,(H2,20,27)(H2,21,28)(H2,22,24,25,26)/t15-/m0/s1