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

Systemtic Name: (phenylmethyl) N-[3-(6-aminocarbonyl-5-azanyl-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl]carbamate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C26H29N5O3S2 MolecularWeight: 523.67016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NC(=O)OCC4=CC=CC=C4)C(=C(S2)C(=O)N)N

Isomeric SMILES

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NC(=O)OCC4=CC=CC=C4)C(=C(S2)C(=O)N)N

InChI

InChI=1S/C26H29N5O3S2/c1-26(2,3)31-23-18(19(27)21(36-23)22(28)32)20(30-24(31)35-4)16-11-8-12-17(13-16)29-25(33)34-14-15-9-6-5-7-10-15/h5-13,23H,14,27H2,1-4H3,(H2,28,32)(H,29,33)