tert-butyl N-[1-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]carbonyl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]carbonyl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophene-5-carbonyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]-oxomethyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophene-5-carbonyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophene-5-carbonyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C(=O)N3CCC(C3)NC(=O)OC(C)(C)C)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C(=O)N3CCC(C3)NC(=O)OC(C)(C)C)C4=NC(=NC=C4)N

InChI

InChI=1S/C23H27N5O3S/c1-13-16-11-14(5-6-18(16)32-19(13)17-7-9-25-21(24)27-17)20(29)28-10-8-15(12-28)26-22(30)31-23(2,3)4/h5-7,9,11,15H,8,10,12H2,1-4H3,(H,26,30)(H2,24,25,27)