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

Systemtic Name: 1-[4-[(3-bromophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-one Openeye Name: 1-[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-one CAS Name: 1-[4-(3-bromoanilino)-6-pyrimido[5,4-d]pyrimidinyl]-4-piperidinone IUPAC Name: 1-[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-one Traditional Name: 1-[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]-4-piperidone Formula: C17H15BrN6O MolecularWeight: 399.2446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1=O)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C17H15BrN6O/c18-11-2-1-3-12(8-11)22-16-15-14(20-10-21-16)9-19-17(23-15)24-6-4-13(25)5-7-24/h1-3,8-10H,4-7H2,(H,20,21,22)