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

Systemtic Name: 5,6-dimethyl-2-[[(2-oxidanyl-3-phenylmethoxy-propyl)-propan-2-yl-amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(3-benzyloxy-2-hydroxy-propyl)-isopropyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2-hydroxy-3-phenylmethoxypropyl)-propan-2-ylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2-hydroxy-3-phenylmethoxypropyl)-propan-2-ylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3-benzoxy-2-hydroxy-propyl)-isopropyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-14(2)25(10-18(26)13-28-12-17-8-6-5-7-9-17)11-19-23-21(27)20-15(3)16(4)29-22(20)24-19/h5-9,14,18,26H,10-13H2,1-4H3,(H,23,24,27)