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

Systemtic Name: 4-[8-[(4-methylphenyl)methylsulfanyl]-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-[2-piperazin-1-yl-8-(p-tolylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]morpholine CAS Name: 4-[8-[(4-methylphenyl)methylthio]-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-[8-[(4-methylphenyl)methylsulfanyl]-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]morpholine Traditional Name: 4-[8-[(4-methylbenzyl)thio]-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]morpholine Formula: C22H27N7OS MolecularWeight: 437.56108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=NC3=C2N=C(N=C3N4CCOCC4)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=NC3=C2N=C(N=C3N4CCOCC4)N5CCNCC5

InChI

InChI=1S/C22H27N7OS/c1-16-2-4-17(5-3-16)14-31-21-19-18(24-15-25-21)20(28-10-12-30-13-11-28)27-22(26-19)29-8-6-23-7-9-29/h2-5,15,23H,6-14H2,1H3