N-(1,3-benzodioxol-5-yl)-4-phenyl-6-thiomorpholin-4-yl-pyrimidin-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-phenyl-6-thiomorpholin-4-yl-pyrimidin-2-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-4-phenyl-6-thiomorpholino-pyrimidin-2-amine CAS Name: N-(1,3-benzodioxol-5-yl)-4-phenyl-6-thiomorpholin-4-yl-2-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-phenyl-6-thiomorpholin-4-ylpyrimidin-2-amine Traditional Name: 1,3-benzodioxol-5-yl-(4-phenyl-6-thiomorpholino-pyrimidin-2-yl)amine Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CSCCN1C2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N4O2S/c1-2-4-15(5-3-1)17-13-20(25-8-10-28-11-9-25)24-21(23-17)22-16-6-7-18-19(12-16)27-14-26-18/h1-7,12-13H,8-11,14H2,(H,22,23,24)