4-[6-methyl-4-[(phenylmethyl)amino]thieno[2,3-d]pyrimidin-2-yl]butanoic acid

Systemtic Name: 4-[6-methyl-4-[(phenylmethyl)amino]thieno[2,3-d]pyrimidin-2-yl]butanoic acid Openeye Name: 4-[4-(benzylamino)-6-methyl-thieno[2,3-d]pyrimidin-2-yl]butanoic acid CAS Name: 4-[6-methyl-4-[(phenylmethyl)amino]-2-thieno[2,3-d]pyrimidinyl]butanoic acid IUPAC Name: 4-[4-(benzylamino)-6-methylthieno[2,3-d]pyrimidin-2-yl]butanoic acid Traditional Name: 4-[4-(benzylamino)-6-methyl-thieno[2,3-d]pyrimidin-2-yl]butyric acid Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N=C(N=C2S1)CCCC(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(N=C(N=C2S1)CCCC(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-12-10-14-17(19-11-13-6-3-2-4-7-13)20-15(21-18(14)24-12)8-5-9-16(22)23/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,22,23)(H,19,20,21)