2-[[8-(phenethylamino)-4-thiomorpholin-4-yl-pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol

Systemtic Name: 2-[[8-(phenethylamino)-4-thiomorpholin-4-yl-pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[[8-(phenethylamino)-4-thiomorpholino-pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol CAS Name: 2-[[8-(phenethylamino)-4-thiomorpholin-4-yl-2-pyrimido[5,4-d]pyrimidinyl]amino]ethanol IUPAC Name: 2-[[8-(phenethylamino)-4-thiomorpholin-4-ylpyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol Traditional Name: 2-[[8-(phenethylamino)-4-thiomorpholino-pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol Formula: C20H25N7OS MolecularWeight: 411.5238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC(=NC3=C2N=CN=C3NCCC4=CC=CC=C4)NCCO

Isomeric SMILES

C1CSCCN1C2=NC(=NC3=C2N=CN=C3NCCC4=CC=CC=C4)NCCO

InChI

InChI=1S/C20H25N7OS/c28-11-8-22-20-25-16-17(19(26-20)27-9-12-29-13-10-27)23-14-24-18(16)21-7-6-15-4-2-1-3-5-15/h1-5,14,28H,6-13H2,(H,21,23,24)(H,22,25,26)