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

Systemtic Name: 1-[3-(2-azanylethyl)phenyl]-3-(2-bromophenyl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-[3-(2-aminoethyl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-[3-(2-aminoethyl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-[3-(2-aminoethyl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-[3-(2-aminoethyl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H23BrN6O MolecularWeight: 515.40442

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CN=C(N=C2N(C(=O)N1C3=CC=CC=C3Br)C4=CC=CC(=C4)CCN)NC5=CC=CC=C5

Isomeric SMILES

C1C2=CN=C(N=C2N(C(=O)N1C3=CC=CC=C3Br)C4=CC=CC(=C4)CCN)NC5=CC=CC=C5

InChI

InChI=1S/C26H23BrN6O/c27-22-11-4-5-12-23(22)32-17-19-16-29-25(30-20-8-2-1-3-9-20)31-24(19)33(26(32)34)21-10-6-7-18(15-21)13-14-28/h1-12,15-16H,13-14,17,28H2,(H,29,30,31)