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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4S/c1-20(2,3)28-19(25)14-10-12(16-17(21)23-11-24-18(16)22)13(29-14)8-6-7-9-15(26-4)27-5/h10-11,15H,6-9H2,1-5H3,(H4,21,22,23,24)