2,2-dimethylpropyl N-[4-[[5-azanyl-1-[6-[(3R,5S)-4-ethanoyl-3,5-dimethyl-piperazin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]carbamate

Systemtic Name: 2,2-dimethylpropyl N-[4-[[5-azanyl-1-[6-[(3R,5S)-4-ethanoyl-3,5-dimethyl-piperazin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]carbamate Openeye Name: 2,2-dimethylpropyl N-[4-[[1-[6-[(3R,5S)-4-acetyl-3,5-dimethyl-piperazin-1-yl]pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]carbamate CAS Name: N-[4-[[1-[6-[(3R,5S)-4-acetyl-3,5-dimethyl-1-piperazinyl]-4-pyrimidinyl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]carbamic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl N-[4-[[1-[6-[(3R,5S)-4-acetyl-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]carbamate Traditional Name: N-[4-[[1-[6-[(3R,5S)-4-acetyl-3,5-dimethyl-piperazino]pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]carbamic acid neopentyl ester Formula: C26H36N10O3 MolecularWeight: 536.62924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C)C)C2=NC=NC(=C2)N3C(=NC(=N3)NC4=CC=C(C=C4)NC(=O)OCC(C)(C)C)N

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1C(=O)C)C)C2=NC=NC(=C2)N3C(=NC(=N3)NC4=CC=C(C=C4)NC(=O)OCC(C)(C)C)N

InChI

InChI=1S/C26H36N10O3/c1-16-12-34(13-17(2)35(16)18(3)37)21-11-22(29-15-28-21)36-23(27)32-24(33-36)30-19-7-9-20(10-8-19)31-25(38)39-14-26(4,5)6/h7-11,15-17H,12-14H2,1-6H3,(H,31,38)(H3,27,30,32,33)/t16-,17+