[3-(6-aminocarbonyl-5-azanyl-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl] (4-nitrophenyl)methyl carbonate

Systemtic Name: [3-(6-aminocarbonyl-5-azanyl-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl] (4-nitrophenyl)methyl carbonate Openeye Name: [3-(5-amino-1-tert-butyl-6-carbamoyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl] (4-nitrophenyl)methyl carbonate CAS Name: carbonic acid [3-[5-amino-1-tert-butyl-6-carbamoyl-2-(methylthio)-7aH-thieno[2,3-d]pyrimidin-4-yl]phenyl] (4-nitrophenyl)methyl ester IUPAC Name: [3-(5-amino-1-tert-butyl-6-carbamoyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl] (4-nitrophenyl)methyl carbonate Traditional Name: carbonic acid [3-[5-amino-1-tert-butyl-6-carbamoyl-2-(methylthio)-7aH-thieno[2,3-d]pyrimidin-4-yl]phenyl] (4-nitrobenzyl) ester Formula: C26H27N5O6S2 MolecularWeight: 569.65248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)OC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=C(S2)C(=O)N)N

Isomeric SMILES

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)OC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=C(S2)C(=O)N)N

InChI

InChI=1S/C26H27N5O6S2/c1-26(2,3)30-23-18(19(27)21(39-23)22(28)32)20(29-24(30)38-4)15-6-5-7-17(12-15)37-25(33)36-13-14-8-10-16(11-9-14)31(34)35/h5-12,23H,13,27H2,1-4H3,(H2,28,32)