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

Systemtic Name: methyl 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]benzoate Openeye Name: methyl 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoate CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoic acid methyl ester Formula: C16H17N7O2 MolecularWeight: 339.35188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N7O2/c1-23(11-5-3-9(4-6-11)15(24)25-2)8-10-7-19-14-12(20-10)13(17)21-16(18)22-14/h3-7H,8H2,1-2H3,(H4,17,18,19,21,22)