7-[2-(3-bromophenyl)-2-oxidanyl-ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,9-dihydro-3H-pyrimido[1,2-a]pyrimidin-6-one

Systemtic Name: 7-[2-(3-bromophenyl)-2-oxidanyl-ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,9-dihydro-3H-pyrimido[1,2-a]pyrimidin-6-one Openeye Name: 7-[2-(3-bromophenyl)-2-hydroxy-ethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,9-dihydro-3H-pyrimido[1,2-a]pyrimidin-6-one CAS Name: 7-[2-(3-bromophenyl)-2-hydroxyethyl]-2,2-dimethyl-8-(4-pyrimidinyl)-4,9-dihydro-3H-pyrimido[1,2-a]pyrimidin-6-one IUPAC Name: 7-[2-(3-bromophenyl)-2-hydroxyethyl]-2,2-dimethyl-8-pyrimidin-4-yl-4,9-dihydro-3H-pyrimido[1,2-a]pyrimidin-6-one Traditional Name: 7-[2-(3-bromophenyl)-2-hydroxy-ethyl]-2,2-dimethyl-8-(4-pyrimidyl)-4,9-dihydro-3H-pyrimido[1,2-a]pyrimidin-6-one Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN2C(=O)C(=C(NC2=N1)C3=NC=NC=C3)CC(C4=CC(=CC=C4)Br)O)C

Isomeric SMILES

CC1(CCN2C(=O)C(=C(NC2=N1)C3=NC=NC=C3)CC(C4=CC(=CC=C4)Br)O)C

InChI

InChI=1S/C21H22BrN5O2/c1-21(2)7-9-27-19(29)15(11-17(28)13-4-3-5-14(22)10-13)18(25-20(27)26-21)16-6-8-23-12-24-16/h3-6,8,10,12,17,28H,7,9,11H2,1-2H3,(H,25,26)