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

Systemtic Name: N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(2-morpholinophenyl)pyrimidine-2,4-diamine CAS Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-[2-(4-morpholinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-chloro-1,3-benzodioxol-4-yl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[2-(2-morpholinoanilino)pyrimidin-4-yl]amine Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC=C2NC3=NC=CC(=N3)NC4=C(C=CC5=C4OCO5)Cl

Isomeric SMILES

C1COCCN1C2=CC=CC=C2NC3=NC=CC(=N3)NC4=C(C=CC5=C4OCO5)Cl

InChI

InChI=1S/C21H20ClN5O3/c22-14-5-6-17-20(30-13-29-17)19(14)25-18-7-8-23-21(26-18)24-15-3-1-2-4-16(15)27-9-11-28-12-10-27/h1-8H,9-13H2,(H2,23,24,25,26)