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

Systemtic Name: 3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propyl benzoate Openeye Name: 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propyl benzoate CAS Name: benzoic acid 3-[2,6-diamino-5-(3-chlorophenyl)-4-pyrimidinyl]propyl ester IUPAC Name: 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propyl benzoate Traditional Name: benzoic acid 3-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]propyl ester Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCC2=C(C(=NC(=N2)N)N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCC2=C(C(=NC(=N2)N)N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H19ClN4O2/c21-15-9-4-8-14(12-15)17-16(24-20(23)25-18(17)22)10-5-11-27-19(26)13-6-2-1-3-7-13/h1-4,6-9,12H,5,10-11H2,(H4,22,23,24,25)