N-ethyl-5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine

Systemtic Name: N-ethyl-5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine Openeye Name: N-ethyl-5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholino-thieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine CAS Name: N-ethyl-5-[6-[(4-methylsulfonyl-1-piperazinyl)methyl]-4-(4-morpholinyl)-2-thieno[2,3-d]pyrimidinyl]-2-pyrimidinamine IUPAC Name: N-ethyl-5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine Traditional Name: ethyl-[5-[6-[(4-mesylpiperazino)methyl]-4-morpholino-thieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-yl]amine Formula: C22H30N8O3S2 MolecularWeight: 518.6554

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=C(C=N1)C2=NC(=C3C=C(SC3=N2)CN4CCN(CC4)S(=O)(=O)C)N5CCOCC5

Isomeric SMILES

CCNC1=NC=C(C=N1)C2=NC(=C3C=C(SC3=N2)CN4CCN(CC4)S(=O)(=O)C)N5CCOCC5

InChI

InChI=1S/C22H30N8O3S2/c1-3-23-22-24-13-16(14-25-22)19-26-20(29-8-10-33-11-9-29)18-12-17(34-21(18)27-19)15-28-4-6-30(7-5-28)35(2,31)32/h12-14H,3-11,15H2,1-2H3,(H,23,24,25)