[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]phenyl] benzoate

Systemtic Name: [3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]phenyl] benzoate Openeye Name: [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl] benzoate CAS Name: benzoic acid [3-[(2,4-diamino-5-pyrimidinyl)methyl]phenyl] ester IUPAC Name: [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl] benzoate Traditional Name: benzoic acid [3-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl] ester Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)CC3=CN=C(N=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C18H16N4O2/c19-16-14(11-21-18(20)22-16)9-12-5-4-8-15(10-12)24-17(23)13-6-2-1-3-7-13/h1-8,10-11H,9H2,(H4,19,20,21,22)