1-[4-[[5-azanyl-1-[6-(4-ethanoyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-3-tert-butyl-urea

Systemtic Name: 1-[4-[[5-azanyl-1-[6-(4-ethanoyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-3-tert-butyl-urea Openeye Name: 1-[4-[[1-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]-3-tert-butyl-urea CAS Name: 1-[4-[[1-[6-(4-acetyl-1,4-diazepan-1-yl)-4-pyrimidinyl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]-3-tert-butylurea IUPAC Name: 1-[4-[[1-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]-3-tert-butylurea Traditional Name: 1-[4-[[1-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-5-amino-1,2,4-triazol-3-yl]amino]phenyl]-3-tert-butyl-urea Formula: C24H33N11O2 MolecularWeight: 507.59132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=NC=NC(=C2)N3C(=NC(=N3)NC4=CC=C(C=C4)NC(=O)NC(C)(C)C)N

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=NC=NC(=C2)N3C(=NC(=N3)NC4=CC=C(C=C4)NC(=O)NC(C)(C)C)N

InChI

InChI=1S/C24H33N11O2/c1-16(36)33-10-5-11-34(13-12-33)19-14-20(27-15-26-19)35-21(25)30-22(32-35)28-17-6-8-18(9-7-17)29-23(37)31-24(2,3)4/h6-9,14-15H,5,10-13H2,1-4H3,(H2,29,31,37)(H3,25,28,30,32)