O1-[[2,4-bis(azanyl)pteridin-6-yl]methyl] O4-tert-butyl benzene-1,4-dicarboxylate

Systemtic Name: O1-[[2,4-bis(azanyl)pteridin-6-yl]methyl] O4-tert-butyl benzene-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-[(2,4-diaminopteridin-6-yl)methyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-tert-butyl ester O1-[(2,4-diamino-6-pteridinyl)methyl] ester IUPAC Name: 4-O-tert-butyl 1-O-[(2,4-diaminopteridin-6-yl)methyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-tert-butyl ester O1-[(2,4-diaminopteridin-6-yl)methyl] ester Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)OCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)OCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C19H20N6O4/c1-19(2,3)29-17(27)11-6-4-10(5-7-11)16(26)28-9-12-8-22-15-13(23-12)14(20)24-18(21)25-15/h4-8H,9H2,1-3H3,(H4,20,21,22,24,25)