ethyl 4-[4-azanyl-5-methyl-6-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[4-azanyl-5-methyl-6-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-(4-amino-6-benzyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoate CAS Name: 4-[[4-amino-5-methyl-6-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-(4-amino-6-benzyl-5-methylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoate Traditional Name: 4-[(4-amino-6-benzyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC(=C2C(=C(SC2=N1)CC3=CC=CC=C3)C)N

Isomeric SMILES

CCOC(=O)CCCSC1=NC(=C2C(=C(SC2=N1)CC3=CC=CC=C3)C)N

InChI

InChI=1S/C20H23N3O2S2/c1-3-25-16(24)10-7-11-26-20-22-18(21)17-13(2)15(27-19(17)23-20)12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-12H2,1-2H3,(H2,21,22,23)