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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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