3-(2-bromophenyl)-1-(cyclohexylmethyl)-7-(phenylmethyl)sulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-bromophenyl)-1-(cyclohexylmethyl)-7-(phenylmethyl)sulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-benzylsulfonyl-3-(2-bromophenyl)-1-(cyclohexylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-bromophenyl)-1-(cyclohexylmethyl)-7-(phenylmethyl)sulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-benzylsulfonyl-3-(2-bromophenyl)-1-(cyclohexylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-benzylsulfonyl-3-(2-bromophenyl)-1-(cyclohexylmethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H27BrN4O3S MolecularWeight: 555.48658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Br)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CN2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Br)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H27BrN4O3S/c27-22-13-7-8-14-23(22)30-17-21-15-28-25(35(33,34)18-20-11-5-2-6-12-20)29-24(21)31(26(30)32)16-19-9-3-1-4-10-19/h2,5-8,11-15,19H,1,3-4,9-10,16-18H2