5-(4-chlorophenyl)-N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine

Systemtic Name: 5-(4-chlorophenyl)-N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine Openeye Name: 5-(4-chlorophenyl)-N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine CAS Name: 5-(4-chlorophenyl)-N2,N4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine IUPAC Name: 5-(4-chlorophenyl)-2-N,4-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine Traditional Name: [5-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C26H21ClN4O4 MolecularWeight: 488.92234

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3C4=CC=C(C=C4)Cl)NC5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3C4=CC=C(C=C4)Cl)NC5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C26H21ClN4O4/c27-17-3-1-16(2-4-17)20-15-28-26(30-19-6-8-22-24(14-19)35-12-10-33-22)31-25(20)29-18-5-7-21-23(13-18)34-11-9-32-21/h1-8,13-15H,9-12H2,(H2,28,29,30,31)