N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-methyl-5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-6-methyl-5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-6-methyl-5-phenyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [(3S)-1,1-diketothiolan-3-yl]-[6-methyl-5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)C3=CN=CC=C3)NC4CCS(=O)(=O)C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)C3=CN=CC=C3)N[C@H]4CCS(=O)(=O)C4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4O2S2/c1-14-18(15-6-3-2-4-7-15)19-21(24-17-9-11-30(27,28)13-17)25-20(26-22(19)29-14)16-8-5-10-23-12-16/h2-8,10,12,17H,9,11,13H2,1H3,(H,24,25,26)/t17-/m0/s1