methyl 2-[4-(azepan-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-(azepan-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]ethanoate Openeye Name: methyl 2-[4-(azepan-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]acetate CAS Name: 2-[4-(1-azepanyl)-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(azepan-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate Traditional Name: 2-[4-(azepan-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]acetic acid methyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCCCCC3)CC(=O)OC)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCCCCC3)CC(=O)OC)C

InChI

InChI=1S/C17H23N3O2S/c1-11-12(2)23-17-15(11)16(20-8-6-4-5-7-9-20)18-13(19-17)10-14(21)22-3/h4-10H2,1-3H3