4-[[2,4-bis(azanyl)-7-diazanyl-pteridin-6-yl]methyl-methyl-amino]benzoate

Systemtic Name: 4-[[2,4-bis(azanyl)-7-diazanyl-pteridin-6-yl]methyl-methyl-amino]benzoate Openeye Name: 4-[(2,4-diamino-7-hydrazino-pteridin-6-yl)methyl-methyl-amino]benzoate CAS Name: 4-[(2,4-diamino-7-hydrazinyl-6-pteridinyl)methyl-methylamino]benzoate IUPAC Name: 4-[(2,4-diamino-7-hydrazinylpteridin-6-yl)methyl-methylamino]benzoate Traditional Name: 4-[(2,4-diamino-7-hydrazino-pteridin-6-yl)methyl-methyl-amino]benzoate Formula: C15H16N9O2- MolecularWeight: 354.34664

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=C(N=C1NN)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CN(CC1=NC2=C(N=C1NN)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H17N9O2/c1-24(8-4-2-7(3-5-8)14(25)26)6-9-12(23-18)21-13-10(19-9)11(16)20-15(17)22-13/h2-5H,6,18H2,1H3,(H,25,26)(H5,16,17,20,21,22,23)/p-1