2-[1-[2-azanylethyl-[(4-bromophenyl)methyl]amino]propyl]-5-cyclopropyl-3-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[1-[2-azanylethyl-[(4-bromophenyl)methyl]amino]propyl]-5-cyclopropyl-3-(phenylmethyl)pyrimidin-4-one Openeye Name: 2-[1-[2-aminoethyl-[(4-bromophenyl)methyl]amino]propyl]-3-benzyl-5-cyclopropyl-pyrimidin-4-one CAS Name: 2-[1-[2-aminoethyl-[(4-bromophenyl)methyl]amino]propyl]-5-cyclopropyl-3-(phenylmethyl)-4-pyrimidinone IUPAC Name: 2-[1-[2-aminoethyl-[(4-bromophenyl)methyl]amino]propyl]-3-benzyl-5-cyclopropylpyrimidin-4-one Traditional Name: 2-[1-[2-aminoethyl-(4-bromobenzyl)amino]propyl]-3-benzyl-5-cyclopropyl-pyrimidin-4-one Formula: C26H31BrN4O MolecularWeight: 495.45454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC=C(C(=O)N1CC2=CC=CC=C2)C3CC3)N(CCN)CC4=CC=C(C=C4)Br

Isomeric SMILES

CCC(C1=NC=C(C(=O)N1CC2=CC=CC=C2)C3CC3)N(CCN)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H31BrN4O/c1-2-24(30(15-14-28)17-20-8-12-22(27)13-9-20)25-29-16-23(21-10-11-21)26(32)31(25)18-19-6-4-3-5-7-19/h3-9,12-13,16,21,24H,2,10-11,14-15,17-18,28H2,1H3