methyl 5-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-methoxy-1-oxidanylidene-propan-2-yl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-methoxy-1-oxidanylidene-propan-2-yl]thiophene-2-carboxylate Openeye Name: methyl 5-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-methoxy-2-oxo-ethyl]thiophene-2-carboxylate CAS Name: 5-[3-(2,4-diamino-6-pteridinyl)-1-methoxy-1-oxopropan-2-yl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(2,4-diaminopteridin-6-yl)-1-methoxy-1-oxopropan-2-yl]thiophene-2-carboxylate Traditional Name: 5-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-keto-2-methoxy-ethyl]thiophene-2-carboxylic acid methyl ester Formula: C16H16N6O4S MolecularWeight: 388.40104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)C(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(S1)C(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)OC

InChI

InChI=1S/C16H16N6O4S/c1-25-14(23)8(9-3-4-10(27-9)15(24)26-2)5-7-6-19-13-11(20-7)12(17)21-16(18)22-13/h3-4,6,8H,5H2,1-2H3,(H4,17,18,19,21,22)