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

Systemtic Name: ditert-butyl 2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]propanedioate Openeye Name: ditert-butyl 2-[(2,4-diaminopteridin-6-yl)methyl]propanedioate CAS Name: 2-[(2,4-diamino-6-pteridinyl)methyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(2,4-diaminopteridin-6-yl)methyl]propanedioate Traditional Name: 2-[(2,4-diaminopteridin-6-yl)methyl]malonic acid ditert-butyl ester Formula: C18H26N6O4 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O4/c1-17(2,3)27-14(25)10(15(26)28-18(4,5)6)7-9-8-21-13-11(22-9)12(19)23-16(20)24-13/h8,10H,7H2,1-6H3,(H4,19,20,21,23,24)