3-(2-bromophenyl)-1-cyclohexyl-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-bromophenyl)-1-cyclohexyl-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-anilino-3-(2-bromophenyl)-1-cyclohexyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-anilino-3-(2-bromophenyl)-1-cyclohexyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-anilino-3-(2-bromophenyl)-1-cyclohexyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-anilino-3-(2-bromophenyl)-1-cyclohexyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C24H24BrN5O MolecularWeight: 478.38426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Br)NC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Br)NC5=CC=CC=C5

InChI

InChI=1S/C24H24BrN5O/c25-20-13-7-8-14-21(20)29-16-17-15-26-23(27-18-9-3-1-4-10-18)28-22(17)30(24(29)31)19-11-5-2-6-12-19/h1,3-4,7-10,13-15,19H,2,5-6,11-12,16H2,(H,26,27,28)