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

Systemtic Name: (4-nitrophenyl) N-[3-(6-aminocarbonyl-5-azanyl-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl]carbamate Openeye Name: (4-nitrophenyl) N-[3-(5-amino-1-tert-butyl-6-carbamoyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl]carbamate CAS Name: N-[3-[5-amino-1-tert-butyl-6-carbamoyl-2-(methylthio)-7aH-thieno[2,3-d]pyrimidin-4-yl]phenyl]carbamic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) N-[3-(5-amino-1-tert-butyl-6-carbamoyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl]carbamate Traditional Name: N-[3-[5-amino-1-tert-butyl-6-carbamoyl-2-(methylthio)-7aH-thieno[2,3-d]pyrimidin-4-yl]phenyl]carbamic acid (4-nitrophenyl) ester Formula: C25H26N6O5S2 MolecularWeight: 554.64114

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H26N6O5S2/c1-25(2,3)30-22-17(18(26)20(38-22)21(27)32)19(29-23(30)37-4)13-6-5-7-14(12-13)28-24(33)36-16-10-8-15(9-11-16)31(34)35/h5-12,22H,26H2,1-4H3,(H2,27,32)(H,28,33)