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

Systemtic Name: 4-[4-(phenylmethylsulfanyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl]morpholine Openeye Name: 4-(4-benzylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl)morpholine CAS Name: 4-[4-(phenylmethylthio)-2-(1-piperazinyl)-8-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-(4-benzylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl)morpholine Traditional Name: 4-[4-(benzylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-8-yl]morpholine Formula: C21H25N7OS MolecularWeight: 423.5345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)SCC4=CC=CC=C4)N=CN=C3N5CCOCC5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)SCC4=CC=CC=C4)N=CN=C3N5CCOCC5

InChI

InChI=1S/C21H25N7OS/c1-2-4-16(5-3-1)14-30-20-18-17(25-21(26-20)28-8-6-22-7-9-28)19(24-15-23-18)27-10-12-29-13-11-27/h1-5,15,22H,6-14H2