5-(1,3-benzodioxol-5-yl)-N4-quinolin-3-yl-pyrimidine-2,4-diamine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N4-quinolin-3-yl-pyrimidine-2,4-diamine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N4-(3-quinolyl)pyrimidine-2,4-diamine CAS Name: 5-(1,3-benzodioxol-5-yl)-N4-(3-quinolinyl)pyrimidine-2,4-diamine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-(3-quinolyl)amine Formula: C20H15N5O2 MolecularWeight: 357.3654

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CN=C(N=C3NC4=CC5=CC=CC=C5N=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CN=C(N=C3NC4=CC5=CC=CC=C5N=C4)N

InChI

InChI=1S/C20H15N5O2/c21-20-23-10-15(12-5-6-17-18(8-12)27-11-26-17)19(25-20)24-14-7-13-3-1-2-4-16(13)22-9-14/h1-10H,11H2,(H3,21,23,24,25)