2-methyl-2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]propanoate

Systemtic Name: 2-methyl-2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]propanoate Openeye Name: 2-methyl-2-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]propanoate CAS Name: 2-methyl-2-[[6-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]ammonio]propanoate IUPAC Name: 2-methyl-2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]azaniumyl]propanoate Traditional Name: 2-methyl-2-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]ammonio]propionate Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)[NH2+]C(C)(C)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)[NH2+]C(C)(C)C(=O)[O-])C

InChI

InChI=1S/C18H19N3O2S/c1-10-5-7-12(8-6-10)13-11(2)24-16-14(13)15(19-9-20-16)21-18(3,4)17(22)23/h5-9H,1-4H3,(H,22,23)(H,19,20,21)