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

Systemtic Name: 2-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[(4-piperidin-1-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-4-[4-(1-piperidyl)anilino]pyrimidine-5-carboxamide CAS Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-[4-(1-piperidinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]-4-(4-piperidinoanilino)pyrimidine-5-carboxamide Formula: C22H31N7O2 MolecularWeight: 425.52724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC1=NC=C(C(=N1)NC2=CC=C(C=C2)N3CCCCC3)C(=O)N

Isomeric SMILES

CC(C)C[C@H](C(=O)N)NC1=NC=C(C(=N1)NC2=CC=C(C=C2)N3CCCCC3)C(=O)N

InChI

InChI=1S/C22H31N7O2/c1-14(2)12-18(20(24)31)27-22-25-13-17(19(23)30)21(28-22)26-15-6-8-16(9-7-15)29-10-4-3-5-11-29/h6-9,13-14,18H,3-5,10-12H2,1-2H3,(H2,23,30)(H2,24,31)(H2,25,26,27,28)/t18-/m1/s1