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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=C(C=N1)C2=NC3=C(C(=N2)N4CCOCC4)SC(=C3)CN5CCN(CC5)S(=O)(=O)C

Isomeric SMILES

CCNC1=NC=C(C=N1)C2=NC3=C(C(=N2)N4CCOCC4)SC(=C3)CN5CCN(CC5)S(=O)(=O)C

InChI

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