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

Systemtic Name: methyl 4-methyl-5-(3-oxidanylpropylcarbamoylamino)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-(3-hydroxypropylcarbamoylamino)-4-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-[[(3-hydroxypropylamino)-oxomethyl]amino]-4-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(3-hydroxypropylcarbamoylamino)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-(3-hydroxypropylcarbamoylamino)-4-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(SC2=NC(=N1)C3=CC=CC=C3)C(=O)OC)NC(=O)NCCCO

Isomeric SMILES

CC1=C2C(=C(SC2=NC(=N1)C3=CC=CC=C3)C(=O)OC)NC(=O)NCCCO

InChI

InChI=1S/C19H20N4O4S/c1-11-13-14(22-19(26)20-9-6-10-24)15(18(25)27-2)28-17(13)23-16(21-11)12-7-4-3-5-8-12/h3-5,7-8,24H,6,9-10H2,1-2H3,(H2,20,22,26)