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

Systemtic Name: 2-[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 4-[4-(4-acetylpiperazin-1-yl)anilino]-2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]pyrimidine-5-carboxamide CAS Name: 4-[4-(4-acetyl-1-piperazinyl)anilino]-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-pyrimidinecarboxamide IUPAC Name: 4-[4-(4-acetylpiperazin-1-yl)anilino]-2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]pyrimidine-5-carboxamide Traditional Name: 4-[4-(4-acetylpiperazino)anilino]-2-[[(1R)-1-carbamoyl-3-methyl-butyl]amino]pyrimidine-5-carboxamide Formula: C23H32N8O3 MolecularWeight: 468.55198

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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)N3CCN(CC3)C(=O)C)C(=O)N

Isomeric SMILES

CC(C)C[C@H](C(=O)N)NC1=NC=C(C(=N1)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)C(=O)N

InChI

InChI=1S/C23H32N8O3/c1-14(2)12-19(21(25)34)28-23-26-13-18(20(24)33)22(29-23)27-16-4-6-17(7-5-16)31-10-8-30(9-11-31)15(3)32/h4-7,13-14,19H,8-12H2,1-3H3,(H2,24,33)(H2,25,34)(H2,26,27,28,29)/t19-/m1/s1