propan-2-yl 4-[4-[[5-azanyl-1-[6-(4-ethanoyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]piperazine-1-carboxylate

Systemtic Name: propan-2-yl 4-[4-[[5-azanyl-1-[6-(4-ethanoyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]piperazine-1-carboxylate Openeye Name: isopropyl 4-[4-[[1-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[1-[6-(4-acetyl-1,4-diazepan-1-yl)-4-pyrimidinyl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]-1-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-[[1-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[1-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]piperazine-1-carboxylic acid isopropyl ester Formula: C27H37N11O3 MolecularWeight: 563.65458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NN(C(=N3)N)C4=CC(=NC=N4)N5CCCN(CC5)C(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NN(C(=N3)N)C4=CC(=NC=N4)N5CCCN(CC5)C(=O)C

InChI

InChI=1S/C27H37N11O3/c1-19(2)41-27(40)37-15-12-35(13-16-37)22-7-5-21(6-8-22)31-26-32-25(28)38(33-26)24-17-23(29-18-30-24)36-10-4-9-34(11-14-36)20(3)39/h5-8,17-19H,4,9-16H2,1-3H3,(H3,28,31,32,33)