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

Systemtic Name: (4-methylphenyl) N-[4-[[5-azanyl-1-[6-[(3S,5R)-4-ethanoyl-3,5-dimethyl-piperazin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]carbamate Openeye Name: p-tolyl N-[4-[[1-[6-[(3S,5R)-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-[(3S,5R)-4-acetyl-3,5-dimethyl-1-piperazinyl]-4-pyrimidinyl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]carbamic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) N-[4-[[1-[6-[(3S,5R)-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-[(3S,5R)-4-acetyl-3,5-dimethyl-piperazino]pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]carbamic acid p-tolyl ester Formula: C28H32N10O3 MolecularWeight: 556.61888

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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)OC5=CC=C(C=C5)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)OC5=CC=C(C=C5)C)N

InChI

InChI=1S/C28H32N10O3/c1-17-5-11-23(12-6-17)41-28(40)33-22-9-7-21(8-10-22)32-27-34-26(29)38(35-27)25-13-24(30-16-31-25)36-14-18(2)37(20(4)39)19(3)15-36/h5-13,16,18-19H,14-15H2,1-4H3,(H,33,40)(H3,29,32,34,35)/t18-,19+