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

Systemtic Name: (4-methylphenyl) N-[4-[[5-azanyl-1-[6-(4-ethanoyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]carbamate Openeye Name: p-tolyl N-[4-[[1-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]carbamate CAS Name: N-[4-[[1-[6-(4-acetyl-1,4-diazepan-1-yl)-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-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]carbamate Traditional Name: N-[4-[[1-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]carbamic acid p-tolyl ester Formula: C27H30N10O3 MolecularWeight: 542.5923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)NC3=NN(C(=N3)N)C4=CC(=NC=N4)N5CCCN(CC5)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)NC3=NN(C(=N3)N)C4=CC(=NC=N4)N5CCCN(CC5)C(=O)C

InChI

InChI=1S/C27H30N10O3/c1-18-4-10-22(11-5-18)40-27(39)32-21-8-6-20(7-9-21)31-26-33-25(28)37(34-26)24-16-23(29-17-30-24)36-13-3-12-35(14-15-36)19(2)38/h4-11,16-17H,3,12-15H2,1-2H3,(H,32,39)(H3,28,31,33,34)