4-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[5-amino-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[5-amino-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[5-amino-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C19H28N6O3S MolecularWeight: 420.52902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)N

InChI

InChI=1S/C19H28N6O3S/c1-3-25(4-2)29(26,27)16-9-7-14(8-10-16)24-19-17(20)18(22-13-23-19)21-12-15-6-5-11-28-15/h7-10,13,15H,3-6,11-12,20H2,1-2H3,(H2,21,22,23,24)