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

Systemtic Name: 5,6-dimethyl-2-[[(2-oxidanyl-3-phenylmethoxy-propyl)-prop-2-enyl-amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[allyl-(3-benzyloxy-2-hydroxy-propyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2-hydroxy-3-phenylmethoxypropyl)-prop-2-enylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2-hydroxy-3-phenylmethoxypropyl)-prop-2-enylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[allyl-(3-benzoxy-2-hydroxy-propyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC=C)CC(COCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC=C)CC(COCC3=CC=CC=C3)O)C

InChI

InChI=1S/C22H27N3O3S/c1-4-10-25(11-18(26)14-28-13-17-8-6-5-7-9-17)12-19-23-21(27)20-15(2)16(3)29-22(20)24-19/h4-9,18,26H,1,10-14H2,2-3H3,(H,23,24,27)