5,6-dimethyl-2-[[(2-oxidanyl-3-phenyl-propyl)-prop-2-enyl-amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[(2-oxidanyl-3-phenyl-propyl)-prop-2-enyl-amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[allyl-(2-hydroxy-3-phenyl-propyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2-hydroxy-3-phenylpropyl)-prop-2-enylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2-hydroxy-3-phenylpropyl)-prop-2-enylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[allyl-(2-hydroxy-3-phenyl-propyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC=C)CC(CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC=C)CC(CC3=CC=CC=C3)O)C

InChI

InChI=1S/C21H25N3O2S/c1-4-10-24(12-17(25)11-16-8-6-5-7-9-16)13-18-22-20(26)19-14(2)15(3)27-21(19)23-18/h4-9,17,25H,1,10-13H2,2-3H3,(H,22,23,26)