5,6-dimethyl-2-[[2-oxidanylpentyl-(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[2-oxidanylpentyl-(phenylmethyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[benzyl(2-hydroxypentyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-hydroxypentyl-(phenylmethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[benzyl(2-hydroxypentyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[benzyl(2-hydroxypentyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN(CC1=CC=CC=C1)CC2=NC3=C(C(=C(S3)C)C)C(=O)N2)O

Isomeric SMILES

CCCC(CN(CC1=CC=CC=C1)CC2=NC3=C(C(=C(S3)C)C)C(=O)N2)O

InChI

InChI=1S/C21H27N3O2S/c1-4-8-17(25)12-24(11-16-9-6-5-7-10-16)13-18-22-20(26)19-14(2)15(3)27-21(19)23-18/h5-7,9-10,17,25H,4,8,11-13H2,1-3H3,(H,22,23,26)