1-[1-hydroxyethyl-(2-piperazin-1-yl-4-thiomorpholin-4-yl-pyrimido[5,4-d]pyrimidin-8-yl)amino]ethanol

Systemtic Name: 1-[1-hydroxyethyl-(2-piperazin-1-yl-4-thiomorpholin-4-yl-pyrimido[5,4-d]pyrimidin-8-yl)amino]ethanol Openeye Name: 1-[1-hydroxyethyl-(2-piperazin-1-yl-4-thiomorpholino-pyrimido[5,4-d]pyrimidin-8-yl)amino]ethanol CAS Name: 1-[1-hydroxyethyl-[2-(1-piperazinyl)-4-thiomorpholin-4-yl-8-pyrimido[5,4-d]pyrimidinyl]amino]ethanol IUPAC Name: 1-[1-hydroxyethyl-(2-piperazin-1-yl-4-thiomorpholin-4-ylpyrimido[5,4-d]pyrimidin-8-yl)amino]ethanol Traditional Name: 1-[1-hydroxyethyl-(2-piperazino-4-thiomorpholino-pyrimido[5,4-d]pyrimidin-8-yl)amino]ethanol Formula: C18H28N8O2S MolecularWeight: 420.53232

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C1=NC=NC2=C1N=C(N=C2N3CCSCC3)N4CCNCC4)C(C)O)O

Isomeric SMILES

CC(N(C1=NC=NC2=C1N=C(N=C2N3CCSCC3)N4CCNCC4)C(C)O)O

InChI

InChI=1S/C18H28N8O2S/c1-12(27)26(13(2)28)16-15-14(20-11-21-16)17(24-7-9-29-10-8-24)23-18(22-15)25-5-3-19-4-6-25/h11-13,19,27-28H,3-10H2,1-2H3