3-methyl-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]pentanoic acid

Systemtic Name: 3-methyl-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]pentanoic acid Openeye Name: 3-methyl-2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid CAS Name: 3-methyl-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]pentanoic acid IUPAC Name: 3-methyl-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]pentanoic acid Traditional Name: 3-methyl-2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amino]valeric acid Formula: C17H23N3O2S MolecularWeight: 333.44842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC1=C2C3=C(CCCC3)SC2=NC(=N1)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC1=C2C3=C(CCCC3)SC2=NC(=N1)C

InChI

InChI=1S/C17H23N3O2S/c1-4-9(2)14(17(21)22)20-15-13-11-7-5-6-8-12(11)23-16(13)19-10(3)18-15/h9,14H,4-8H2,1-3H3,(H,21,22)(H,18,19,20)