methyl 4-[2-[2,4-bis(azanyl)pteridin-6-yl]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2,4-bis(azanyl)pteridin-6-yl]ethyl]benzoate Openeye Name: methyl 4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoate CAS Name: 4-[2-(2,4-diamino-6-pteridinyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoate Traditional Name: 4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoic acid methyl ester Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C16H16N6O2/c1-24-15(23)10-5-2-9(3-6-10)4-7-11-8-19-14-12(20-11)13(17)21-16(18)22-14/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,21,22)