ethyl 2-[(3-methylpiperazin-1-yl)methyl]-4-oxidanylidene-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(3-methylpiperazin-1-yl)methyl]-4-oxidanylidene-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-isopropyl-2-[(3-methylpiperazin-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(3-methyl-1-piperazinyl)methyl]-4-oxo-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methylpiperazin-1-yl)methyl]-4-oxo-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-isopropyl-4-keto-2-[(3-methylpiperazino)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3CCNC(C3)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3CCNC(C3)C)C(C)C

InChI

InChI=1S/C18H26N4O3S/c1-5-25-18(24)15-13(10(2)3)14-16(23)20-12(21-17(14)26-15)9-22-7-6-19-11(4)8-22/h10-11,19H,5-9H2,1-4H3,(H,20,21,23)