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

Systemtic Name: [3-(6-aminocarbonyl-5-azanyl-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl] (4-nitrophenyl) carbonate Openeye Name: [3-(5-amino-1-tert-butyl-6-carbamoyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl] (4-nitrophenyl) 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) ester IUPAC Name: [3-(5-amino-1-tert-butyl-6-carbamoyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl] (4-nitrophenyl) 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-nitrophenyl) ester Formula: C25H25N5O6S2 MolecularWeight: 555.6259

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)OC(=O)OC4=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)OC4=CC=C(C=C4)[N+](=O)[O-])C(=C(S2)C(=O)N)N

InChI

InChI=1S/C25H25N5O6S2/c1-25(2,3)29-22-17(18(26)20(38-22)21(27)31)19(28-23(29)37-4)13-6-5-7-16(12-13)36-24(32)35-15-10-8-14(9-11-15)30(33)34/h5-12,22H,26H2,1-4H3,(H2,27,31)