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

Systemtic Name: 4-[8-(4-methylphenyl)sulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-[2-piperazin-1-yl-8-(p-tolylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]morpholine CAS Name: 4-[8-[(4-methylphenyl)thio]-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-[8-(4-methylphenyl)sulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]morpholine Traditional Name: 4-[2-piperazino-8-(p-tolylthio)pyrimido[5,4-d]pyrimidin-4-yl]morpholine Formula: C21H25N7OS MolecularWeight: 423.5345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(N=C3N4CCOCC4)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(N=C3N4CCOCC4)N5CCNCC5

InChI

InChI=1S/C21H25N7OS/c1-15-2-4-16(5-3-15)30-20-18-17(23-14-24-20)19(27-10-12-29-13-11-27)26-21(25-18)28-8-6-22-7-9-28/h2-5,14,22H,6-13H2,1H3