[2-[[2,4-bis(azanyl)pyrimidin-5-yl]methoxycarbonyl]phenyl] 2-acetyloxybenzoate

Systemtic Name: [2-[[2,4-bis(azanyl)pyrimidin-5-yl]methoxycarbonyl]phenyl] 2-acetyloxybenzoate Openeye Name: [2-[(2,4-diaminopyrimidin-5-yl)methoxycarbonyl]phenyl] 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [2-[(2,4-diamino-5-pyrimidinyl)methoxy-oxomethyl]phenyl] ester IUPAC Name: [2-[(2,4-diaminopyrimidin-5-yl)methoxycarbonyl]phenyl] 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [2-[(2,4-diaminopyrimidin-5-yl)methoxycarbonyl]phenyl] ester Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)OCC3=CN=C(N=C3N)N

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)OCC3=CN=C(N=C3N)N

InChI

InChI=1S/C21H18N4O6/c1-12(26)30-16-8-4-3-7-15(16)20(28)31-17-9-5-2-6-14(17)19(27)29-11-13-10-24-21(23)25-18(13)22/h2-10H,11H2,1H3,(H4,22,23,24,25)