5-bromanyl-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxy-pyrimidine

Systemtic Name: 5-bromanyl-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxy-pyrimidine Openeye Name: 5-bromo-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxy-pyrimidine CAS Name: 5-bromo-2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-4-methoxypyrimidine IUPAC Name: 5-bromo-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxypyrimidine Traditional Name: 5-bromo-4-methoxy-2-(4-veratrylpiperazino)pyrimidine Formula: C18H23BrN4O3 MolecularWeight: 423.30422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NC=C(C(=N3)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NC=C(C(=N3)OC)Br)OC

InChI

InChI=1S/C18H23BrN4O3/c1-24-15-5-4-13(10-16(15)25-2)12-22-6-8-23(9-7-22)18-20-11-14(19)17(21-18)26-3/h4-5,10-11H,6-9,12H2,1-3H3