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

Systemtic Name: 7-(1,3-benzodioxol-5-ylamino)-3-(2-bromophenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-(1,3-benzodioxol-5-ylamino)-3-(2-bromophenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-(1,3-benzodioxol-5-ylamino)-3-(2-bromophenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-(1,3-benzodioxol-5-ylamino)-3-(2-bromophenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-(1,3-benzodioxol-5-ylamino)-3-(2-bromophenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H16BrN5O3 MolecularWeight: 454.27674

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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)OCO5

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Br)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H16BrN5O3/c1-25-18-12(10-26(20(25)27)15-5-3-2-4-14(15)21)9-22-19(24-18)23-13-6-7-16-17(8-13)29-11-28-16/h2-9H,10-11H2,1H3,(H,22,23,24)