3-[2,6-bis(azanyl)-5-phenyl-pyrimidin-4-yl]propyl benzoate

Systemtic Name: 3-[2,6-bis(azanyl)-5-phenyl-pyrimidin-4-yl]propyl benzoate Openeye Name: 3-(2,6-diamino-5-phenyl-pyrimidin-4-yl)propyl benzoate CAS Name: benzoic acid 3-(2,6-diamino-5-phenyl-4-pyrimidinyl)propyl ester IUPAC Name: 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl benzoate Traditional Name: benzoic acid 3-(2,6-diamino-5-phenyl-pyrimidin-4-yl)propyl ester Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)CCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)CCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2/c21-18-17(14-8-3-1-4-9-14)16(23-20(22)24-18)12-7-13-26-19(25)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H4,21,22,23,24)