[2,4,6-tris(azanyl)pyrimidin-5-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2,4,6-tris(azanyl)pyrimidin-5-yl] 3,4,5-trimethoxybenzoate Openeye Name: (2,4,6-triaminopyrimidin-5-yl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (2,4,6-triamino-5-pyrimidinyl) ester IUPAC Name: (2,4,6-triaminopyrimidin-5-yl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (2,4,6-triaminopyrimidin-5-yl) ester Formula: C14H17N5O5 MolecularWeight: 335.31528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(N=C(N=C2N)N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(N=C(N=C2N)N)N

InChI

InChI=1S/C14H17N5O5/c1-21-7-4-6(5-8(22-2)9(7)23-3)13(20)24-10-11(15)18-14(17)19-12(10)16/h4-5H,1-3H3,(H6,15,16,17,18,19)