6-(2-bromophenyl)-2-(phenylmethyl)sulfonyl-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one

Systemtic Name: 6-(2-bromophenyl)-2-(phenylmethyl)sulfonyl-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one Openeye Name: 2-benzylsulfonyl-6-(2-bromophenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one CAS Name: 6-(2-bromophenyl)-2-(phenylmethyl)sulfonyl-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one IUPAC Name: 2-benzylsulfonyl-6-(2-bromophenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one Traditional Name: 2-benzylsulfonyl-6-(2-bromophenyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-7-one Formula: C19H15BrN4O3S MolecularWeight: 459.3164

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CN=C(N=C2NC(=O)N1C3=CC=CC=C3Br)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C2=CN=C(N=C2NC(=O)N1C3=CC=CC=C3Br)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H15BrN4O3S/c20-15-8-4-5-9-16(15)24-11-14-10-21-18(22-17(14)23-19(24)25)28(26,27)12-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,21,22,23,25)