5-[6-ethyl-4-[(phenylmethyl)amino]thieno[2,3-d]pyrimidin-2-yl]pentanoic acid

Systemtic Name: 5-[6-ethyl-4-[(phenylmethyl)amino]thieno[2,3-d]pyrimidin-2-yl]pentanoic acid Openeye Name: 5-[4-(benzylamino)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]pentanoic acid CAS Name: 5-[6-ethyl-4-[(phenylmethyl)amino]-2-thieno[2,3-d]pyrimidinyl]pentanoic acid IUPAC Name: 5-[4-(benzylamino)-6-ethylthieno[2,3-d]pyrimidin-2-yl]pentanoic acid Traditional Name: 5-[4-(benzylamino)-6-ethyl-thieno[2,3-d]pyrimidin-2-yl]valeric acid Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)CCCCC(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)CCCCC(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-2-15-12-16-19(21-13-14-8-4-3-5-9-14)22-17(23-20(16)26-15)10-6-7-11-18(24)25/h3-5,8-9,12H,2,6-7,10-11,13H2,1H3,(H,24,25)(H,21,22,23)