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

Systemtic Name: methyl 5-(furan-2-ylmethylcarbamoylamino)-4-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-(2-furylmethylcarbamoylamino)-4-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-[[(2-furanylmethylamino)-oxomethyl]amino]-4-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(furan-2-ylmethylcarbamoylamino)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-(2-furfurylcarbamoylamino)-4-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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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)NCC4=CC=CO4

Isomeric SMILES

CC1=C2C(=C(SC2=NC(=N1)C3=CC=CC=C3)C(=O)OC)NC(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H18N4O4S/c1-12-15-16(24-21(27)22-11-14-9-6-10-29-14)17(20(26)28-2)30-19(15)25-18(23-12)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H2,22,24,27)