ethyl 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: ethyl 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: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H35N11O3 MolecularWeight: 549.628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C26H35N11O3/c1-3-40-26(39)36-15-12-34(13-16-36)21-7-5-20(6-8-21)30-25-31-24(27)37(32-25)23-17-22(28-18-29-23)35-10-4-9-33(11-14-35)19(2)38/h5-8,17-18H,3-4,9-16H2,1-2H3,(H3,27,30,31,32)