N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-(3,5-dimorpholin-4-ylphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-(3,5-dimorpholin-4-ylphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(3,5-dimorpholinophenyl)pyrimidine-2,4-diamine CAS Name: N2-[3,5-bis(4-morpholinyl)phenyl]-N4-(5-chloro-1,3-benzodioxol-4-yl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-chloro-1,3-benzodioxol-4-yl)-2-N-(3,5-dimorpholin-4-ylphenyl)pyrimidine-2,4-diamine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[2-(3,5-dimorpholinoanilino)pyrimidin-4-yl]amine Formula: C25H27ClN6O4 MolecularWeight: 510.97268

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=CC(=C2)NC3=NC=CC(=N3)NC4=C(C=CC5=C4OCO5)Cl)N6CCOCC6

Isomeric SMILES

C1COCCN1C2=CC(=CC(=C2)NC3=NC=CC(=N3)NC4=C(C=CC5=C4OCO5)Cl)N6CCOCC6

InChI

InChI=1S/C25H27ClN6O4/c26-20-1-2-21-24(36-16-35-21)23(20)29-22-3-4-27-25(30-22)28-17-13-18(31-5-9-33-10-6-31)15-19(14-17)32-7-11-34-12-8-32/h1-4,13-15H,5-12,16H2,(H2,27,28,29,30)