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

Systemtic Name: 4-[bis(2-hydroxyethyl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-[bis(2-hydroxyethyl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[bis(2-hydroxyethyl)amino]-5-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-[bis(2-hydroxyethyl)amino]-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[bis(2-hydroxyethyl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H18N3O4S- MolecularWeight: 372.41822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N(CCO)CCO)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N(CCO)CCO)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-11-13-16(21(7-9-22)8-10-23)19-15(12-5-3-2-4-6-12)20-17(13)26-14(11)18(24)25/h2-6,22-23H,7-10H2,1H3,(H,24,25)/p-1