4-[8-(4-fluorophenyl)sulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine

Systemtic Name: 4-[8-(4-fluorophenyl)sulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-[8-(4-fluorophenyl)sulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine CAS Name: 4-[8-[(4-fluorophenyl)thio]-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-[8-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]morpholine Traditional Name: 4-[8-[(4-fluorophenyl)thio]-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Formula: C20H22FN7OS MolecularWeight: 427.498383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SC5=CC=C(C=C5)F

InChI

InChI=1S/C20H22FN7OS/c21-14-1-3-15(4-2-14)30-19-17-16(23-13-24-19)18(27-9-11-29-12-10-27)26-20(25-17)28-7-5-22-6-8-28/h1-4,13,22H,5-12H2