(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]-N-methyl-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]-N-methyl-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]-N-methyl-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]-N-methylcarbamic 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]-N-methylcarbamate 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]-N-methyl-carbamic acid p-tolyl ester Formula: C28H32N10O3 MolecularWeight: 556.61888

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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