[2-[2-azanyl-5-(4-bromophenyl)pyrimidin-4-yl]-4-ethyl-5-methoxy-phenyl] ethanoate

Systemtic Name: [2-[2-azanyl-5-(4-bromophenyl)pyrimidin-4-yl]-4-ethyl-5-methoxy-phenyl] ethanoate Openeye Name: [2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-4-ethyl-5-methoxy-phenyl] acetate CAS Name: acetic acid [2-[2-amino-5-(4-bromophenyl)-4-pyrimidinyl]-4-ethyl-5-methoxyphenyl] ester IUPAC Name: [2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-4-ethyl-5-methoxyphenyl] acetate Traditional Name: acetic acid [2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-4-ethyl-5-methoxy-phenyl] ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=NC(=NC=C2C3=CC=C(C=C3)Br)N)OC(=O)C)OC

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=NC(=NC=C2C3=CC=C(C=C3)Br)N)OC(=O)C)OC

InChI

InChI=1S/C21H20BrN3O3/c1-4-13-9-16(19(28-12(2)26)10-18(13)27-3)20-17(11-24-21(23)25-20)14-5-7-15(22)8-6-14/h5-11H,4H2,1-3H3,(H2,23,24,25)