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

Systemtic Name: 4-(8-octylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)morpholine Openeye Name: 4-(8-octylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)morpholine CAS Name: 4-[8-(octylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-(8-octylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)morpholine Traditional Name: 4-[8-(octylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Formula: C22H35N7OS MolecularWeight: 445.6246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=NC2=C1N=C(N=C2N3CCOCC3)N4CCNCC4

Isomeric SMILES

CCCCCCCCSC1=NC=NC2=C1N=C(N=C2N3CCOCC3)N4CCNCC4

InChI

InChI=1S/C22H35N7OS/c1-2-3-4-5-6-7-16-31-21-19-18(24-17-25-21)20(28-12-14-30-15-13-28)27-22(26-19)29-10-8-23-9-11-29/h17,23H,2-16H2,1H3