tert-butyl 5-[4-[4,6-bis(azanyl)pyrimidin-5-yl]-5,5-dimethoxy-pentyl]thiophene-2-carboxylate

Systemtic Name: tert-butyl 5-[4-[4,6-bis(azanyl)pyrimidin-5-yl]-5,5-dimethoxy-pentyl]thiophene-2-carboxylate Openeye Name: tert-butyl 5-[4-(4,6-diaminopyrimidin-5-yl)-5,5-dimethoxy-pentyl]thiophene-2-carboxylate CAS Name: 5-[4-(4,6-diamino-5-pyrimidinyl)-5,5-dimethoxypentyl]-2-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[4-(4,6-diaminopyrimidin-5-yl)-5,5-dimethoxypentyl]thiophene-2-carboxylate Traditional Name: 5-[4-(4,6-diaminopyrimidin-5-yl)-5,5-dimethoxy-pentyl]thiophene-2-carboxylic acid tert-butyl ester Formula: C20H30N4O4S MolecularWeight: 422.5416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(S1)CCCC(C2=C(N=CN=C2N)N)C(OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(S1)CCCC(C2=C(N=CN=C2N)N)C(OC)OC

InChI

InChI=1S/C20H30N4O4S/c1-20(2,3)28-18(25)14-10-9-12(29-14)7-6-8-13(19(26-4)27-5)15-16(21)23-11-24-17(15)22/h9-11,13,19H,6-8H2,1-5H3,(H4,21,22,23,24)