1-(4-aminophenyl)-2-[[6-(2-azanylpyrimidin-4-yl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]ethanol

Systemtic Name: 1-(4-aminophenyl)-2-[[6-(2-azanylpyrimidin-4-yl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]ethanol Openeye Name: 1-(4-aminophenyl)-2-[[6-(2-aminopyrimidin-4-yl)sulfonylchroman-2-yl]methylamino]ethanol CAS Name: 1-(4-aminophenyl)-2-[[6-[(2-amino-4-pyrimidinyl)sulfonyl]-3,4-dihydro-2H-1-benzopyran-2-yl]methylamino]ethanol IUPAC Name: 1-(4-aminophenyl)-2-[[6-(2-aminopyrimidin-4-yl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]ethanol Traditional Name: 1-(4-aminophenyl)-2-[[6-(2-aminopyrimidin-4-yl)sulfonylchroman-2-yl]methylamino]ethanol Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)C3=NC(=NC=C3)N)OC1CNCC(C4=CC=C(C=C4)N)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)C3=NC(=NC=C3)N)OC1CNCC(C4=CC=C(C=C4)N)O

InChI

InChI=1S/C22H25N5O4S/c23-16-4-1-14(2-5-16)19(28)13-25-12-17-6-3-15-11-18(7-8-20(15)31-17)32(29,30)21-9-10-26-22(24)27-21/h1-2,4-5,7-11,17,19,25,28H,3,6,12-13,23H2,(H2,24,26,27)