3-(2-bromophenyl)-7-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-bromophenyl)-7-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-bromophenyl)-7-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-bromophenyl)-7-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-bromophenyl)-7-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-bromophenyl)-7-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C21H18BrN5O3 MolecularWeight: 468.30332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Br)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Br)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H18BrN5O3/c1-26-19-13(12-27(21(26)28)16-5-3-2-4-15(16)22)11-23-20(25-19)24-14-6-7-17-18(10-14)30-9-8-29-17/h2-7,10-11H,8-9,12H2,1H3,(H,23,24,25)