[4-[2,4,7-tris(azanyl)pteridin-6-yl]phenyl] ethanoate

Systemtic Name: [4-[2,4,7-tris(azanyl)pteridin-6-yl]phenyl] ethanoate Openeye Name: [4-(2,4,7-triaminopteridin-6-yl)phenyl] acetate CAS Name: acetic acid [4-(2,4,7-triamino-6-pteridinyl)phenyl] ester IUPAC Name: [4-(2,4,7-triaminopteridin-6-yl)phenyl] acetate Traditional Name: acetic acid [4-(2,4,7-triaminopteridin-6-yl)phenyl] ester Formula: C14H13N7O2 MolecularWeight: 311.29872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N

InChI

InChI=1S/C14H13N7O2/c1-6(22)23-8-4-2-7(3-5-8)9-11(15)19-13-10(18-9)12(16)20-14(17)21-13/h2-5H,1H3,(H6,15,16,17,19,20,21)