methyl 4-[1-[2,4-bis(azanyl)pteridin-6-yl]butan-2-yl]benzoate

Systemtic Name: methyl 4-[1-[2,4-bis(azanyl)pteridin-6-yl]butan-2-yl]benzoate Openeye Name: methyl 4-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]benzoate CAS Name: 4-[1-(2,4-diamino-6-pteridinyl)butan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoate Traditional Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]benzoic acid methyl ester Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H20N6O2/c1-3-10(11-4-6-12(7-5-11)17(25)26-2)8-13-9-21-16-14(22-13)15(19)23-18(20)24-16/h4-7,9-10H,3,8H2,1-2H3,(H4,19,20,21,23,24)