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

Systemtic Name: 4-(8-phenylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine Openeye Name: 4-(8-phenylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine CAS Name: 4-[8-(phenylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinyl]thiomorpholine IUPAC Name: 4-(8-phenylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine Traditional Name: 4-[8-(phenylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]thiomorpholine Formula: C20H23N7S2 MolecularWeight: 425.57352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=CN=C3SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=CN=C3SC5=CC=CC=C5

InChI

InChI=1S/C20H23N7S2/c1-2-4-15(5-3-1)29-19-17-16(22-14-23-19)18(26-10-12-28-13-11-26)25-20(24-17)27-8-6-21-7-9-27/h1-5,14,21H,6-13H2