2,2-dimethylpropyl 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: 2,2-dimethylpropyl 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: 2,2-dimethylpropyl 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 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 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 neopentyl ester Formula: C26H36N10O3 MolecularWeight: 536.62924

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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)N(C)C(=O)OCC(C)(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C26H36N10O3/c1-18(37)34-11-6-12-35(14-13-34)21-15-22(29-17-28-21)36-23(27)31-24(32-36)30-19-7-9-20(10-8-19)33(5)25(38)39-16-26(2,3)4/h7-10,15,17H,6,11-14,16H2,1-5H3,(H3,27,30,31,32)