methyl 4-[(6-azanylidene-5-bromanyl-2-butyl-pyrimidin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(6-azanylidene-5-bromanyl-2-butyl-pyrimidin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(5-bromo-2-butyl-6-imino-pyrimidin-1-yl)methyl]benzoate CAS Name: 4-[(5-bromo-2-butyl-6-imino-1-pyrimidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-butyl-6-iminopyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[(5-bromo-2-butyl-6-imino-pyrimidin-1-yl)methyl]benzoic acid methyl ester Formula: C17H20BrN3O2 MolecularWeight: 378.2636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(C(=N)N1CC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CCCCC1=NC=C(C(=N)N1CC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C17H20BrN3O2/c1-3-4-5-15-20-10-14(18)16(19)21(15)11-12-6-8-13(9-7-12)17(22)23-2/h6-10,19H,3-5,11H2,1-2H3