2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylic acid

Systemtic Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylic acid Openeye Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)C4CCCN4C(=O)O

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)C4CCCN4C(=O)O

InChI

InChI=1S/C18H23N5O3S/c1-2-12-10-13-15(19-11-20-16(13)27-12)21-6-8-22(9-7-21)17(24)14-4-3-5-23(14)18(25)26/h10-11,14H,2-9H2,1H3,(H,25,26)