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

Systemtic Name: N-[(4-ethylphenyl)methyl]-4-(4-ethylpiperazin-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-4-(4-ethylpiperazin-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-4-(4-ethyl-1-piperazinyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(4-ethylbenzyl)-4-(4-ethylpiperazino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)CC)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)CC)C

InChI

InChI=1S/C23H29N5OS/c1-4-17-6-8-18(9-7-17)14-24-22(29)20-16(3)19-21(25-15-26-23(19)30-20)28-12-10-27(5-2)11-13-28/h6-9,15H,4-5,10-14H2,1-3H3,(H,24,29)