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

Systemtic Name: 3-(2-bromophenyl)-1-methyl-7-[[3-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-bromophenyl)-1-methyl-7-[[3-(morpholinomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-bromophenyl)-1-methyl-7-[[3-(4-morpholinylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-bromophenyl)-1-methyl-7-[[3-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-bromophenyl)-1-methyl-7-[[3-(morpholinomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H27BrN6O4 MolecularWeight: 567.43438

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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)OCC(O5)CN6CCOCC6

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Br)NC4=CC5=C(C=C4)OCC(O5)CN6CCOCC6

InChI

InChI=1S/C26H27BrN6O4/c1-31-24-17(14-33(26(31)34)21-5-3-2-4-20(21)27)13-28-25(30-24)29-18-6-7-22-23(12-18)37-19(16-36-22)15-32-8-10-35-11-9-32/h2-7,12-13,19H,8-11,14-16H2,1H3,(H,28,29,30)