4-[bis(2-hydroxyethyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-[bis(2-hydroxyethyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-[bis(2-hydroxyethyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[bis(2-hydroxyethyl)amino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-[bis(2-hydroxyethyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[bis(2-hydroxyethyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C12H14N3O4S- MolecularWeight: 296.32226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N(CCO)CCO)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N(CCO)CCO)C(=O)[O-]

InChI

InChI=1S/C12H15N3O4S/c1-7-8-10(15(2-4-16)3-5-17)13-6-14-11(8)20-9(7)12(18)19/h6,16-17H,2-5H2,1H3,(H,18,19)/p-1