dimethyl 2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]propanedioate Openeye Name: dimethyl 2-[(2,4-diaminopteridin-6-yl)methyl]propanedioate CAS Name: 2-[(2,4-diamino-6-pteridinyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2,4-diaminopteridin-6-yl)methyl]propanedioate Traditional Name: 2-[(2,4-diaminopteridin-6-yl)methyl]malonic acid dimethyl ester Formula: C12H14N6O4 MolecularWeight: 306.27736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C(=O)OC

InChI

InChI=1S/C12H14N6O4/c1-21-10(19)6(11(20)22-2)3-5-4-15-9-7(16-5)8(13)17-12(14)18-9/h4,6H,3H2,1-2H3,(H4,13,14,15,17,18)