tert-butyl N-[[5-azanyl-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidin-6-yl]carbonylamino]carbamate

Systemtic Name: tert-butyl N-[[5-azanyl-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidin-6-yl]carbonylamino]carbamate Openeye Name: tert-butyl N-[[5-amino-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carbonyl]amino]carbamate CAS Name: N-[[[5-amino-4-(3-methoxyphenyl)-2-(methylthio)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[5-amino-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carbonyl]amino]carbamate Traditional Name: N-[[5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carbonyl]amino]carbamic acid tert-butyl ester Formula: C20H23N5O4S2 MolecularWeight: 461.55772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC)N

InChI

InChI=1S/C20H23N5O4S2/c1-20(2,3)29-19(27)25-24-16(26)15-13(21)12-14(10-7-6-8-11(9-10)28-4)22-18(30-5)23-17(12)31-15/h6-9H,21H2,1-5H3,(H,24,26)(H,25,27)