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

Systemtic Name: ethyl N-[3-(6-aminocarbonyl-5-azanyl-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidin-4-yl)phenyl]carbamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C2=C3C(N(C(=N2)SC)C(C)(C)C)SC(=C3N)C(=O)N

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C2=C3C(N(C(=N2)SC)C(C)(C)C)SC(=C3N)C(=O)N

InChI

InChI=1S/C21H27N5O3S2/c1-6-29-20(28)24-12-9-7-8-11(10-12)15-13-14(22)16(17(23)27)31-18(13)26(21(2,3)4)19(25-15)30-5/h7-10,18H,6,22H2,1-5H3,(H2,23,27)(H,24,28)