(2S)-2-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate

Systemtic Name: (2S)-2-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-2-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]butanoate CAS Name: (2S)-2-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]ammonio]butanoate IUPAC Name: (2S)-2-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-2-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]butyrate Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]C1=C2C(=C(SC2=NC=N1)C(=O)OC3CCCCC3)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])[NH2+]C1=C2C(=C(SC2=NC=N1)C(=O)OC3CCCCC3)C

InChI

InChI=1S/C18H23N3O4S/c1-3-12(17(22)23)21-15-13-10(2)14(26-16(13)20-9-19-15)18(24)25-11-7-5-4-6-8-11/h9,11-12H,3-8H2,1-2H3,(H,22,23)(H,19,20,21)/t12-/m0/s1