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

Systemtic Name: 2-[[4-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]phenyl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Openeye Name: 2-[4-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide CAS Name: 2-[4-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]anilino]-4-(cyclopropylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Traditional Name: 2-[4-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Formula: C20H27N7O2 MolecularWeight: 397.47408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7O2/c1-11(2)9-16(18(22)29)24-12-3-7-14(8-4-12)26-20-23-10-15(17(21)28)19(27-20)25-13-5-6-13/h3-4,7-8,10-11,13,16,24H,5-6,9H2,1-2H3,(H2,21,28)(H2,22,29)(H2,23,25,26,27)/t16-/m0/s1