N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-methyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H32N6OS MolecularWeight: 464.62618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C25H32N6OS/c1-3-29-11-7-10-20(29)16-26-24(32)22-18(2)21-23(27-17-28-25(21)33-22)31-14-12-30(13-15-31)19-8-5-4-6-9-19/h4-6,8-9,17,20H,3,7,10-16H2,1-2H3,(H,26,32)