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

Systemtic Name: methyl 6-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-methoxy-1-oxidanylidene-propan-2-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-methoxy-2-oxo-ethyl]pyridine-3-carboxylate CAS Name: 6-[3-(2,4-diamino-6-pteridinyl)-1-methoxy-1-oxopropan-2-yl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(2,4-diaminopteridin-6-yl)-1-methoxy-1-oxopropan-2-yl]pyridine-3-carboxylate Traditional Name: 6-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-keto-2-methoxy-ethyl]nicotinic acid methyl ester Formula: C17H17N7O4 MolecularWeight: 383.36138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O4/c1-27-15(25)8-3-4-11(20-6-8)10(16(26)28-2)5-9-7-21-14-12(22-9)13(18)23-17(19)24-14/h3-4,6-7,10H,5H2,1-2H3,(H4,18,19,21,23,24)