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

Systemtic Name: methyl 4-[3-[2,4-bis(azanyl)pteridin-6-yl]-1-methoxy-1-oxidanylidene-propan-2-yl]naphthalene-1-carboxylate Openeye Name: methyl 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-methoxy-2-oxo-ethyl]naphthalene-1-carboxylate CAS Name: 4-[3-(2,4-diamino-6-pteridinyl)-1-methoxy-1-oxopropan-2-yl]-1-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(2,4-diaminopteridin-6-yl)-1-methoxy-1-oxopropan-2-yl]naphthalene-1-carboxylate Traditional Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]-2-keto-2-methoxy-ethyl]naphthalene-1-carboxylic acid methyl ester Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C2=CC=CC=C21)C(CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C2=CC=CC=C21)C(CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)OC

InChI

InChI=1S/C22H20N6O4/c1-31-20(29)15-8-7-14(12-5-3-4-6-13(12)15)16(21(30)32-2)9-11-10-25-19-17(26-11)18(23)27-22(24)28-19/h3-8,10,16H,9H2,1-2H3,(H4,23,24,25,27,28)