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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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