4-[[4-[(3-bromophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-one

Systemtic Name: 4-[[4-[(3-bromophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-one Openeye Name: 4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanone CAS Name: 4-[[4-(3-bromoanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-cyclohexanone IUPAC Name: 4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-one Traditional Name: 4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanone Formula: C18H17BrN6O MolecularWeight: 413.27118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CC(=O)CCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C18H17BrN6O/c19-11-2-1-3-13(8-11)23-17-16-15(21-10-22-17)9-20-18(25-16)24-12-4-6-14(26)7-5-12/h1-3,8-10,12H,4-7H2,(H,20,24,25)(H,21,22,23)