N-(cyclohexylmethyl)-8-methylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(cyclohexylmethyl)-8-methylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(cyclohexylmethyl)-8-methylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(cyclohexylmethyl)-8-(methylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(cyclohexylmethyl)-8-methylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: cyclohexylmethyl-[8-(methylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C18H27N7S MolecularWeight: 373.51888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=C(N=C2NCC3CCCCC3)N4CCNCC4

Isomeric SMILES

CSC1=NC=NC2=C1N=C(N=C2NCC3CCCCC3)N4CCNCC4

InChI

InChI=1S/C18H27N7S/c1-26-17-15-14(21-12-22-17)16(20-11-13-5-3-2-4-6-13)24-18(23-15)25-9-7-19-8-10-25/h12-13,19H,2-11H2,1H3,(H,20,23,24)