N,N-diethyl-2-[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl]sulfanyl-ethanamine

Systemtic Name: N,N-diethyl-2-[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl]sulfanyl-ethanamine Openeye Name: N,N-diethyl-2-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl]sulfanyl-ethanamine CAS Name: N,N-diethyl-2-[[4-(1-oxo-1,4-thiazinan-4-yl)-2-(1-piperazinyl)-8-pyrimido[5,4-d]pyrimidinyl]thio]ethanamine IUPAC Name: N,N-diethyl-2-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl]sulfanylethanamine Traditional Name: diethyl-[2-[[4-(1-keto-1,4-thiazinan-4-yl)-2-piperazino-pyrimido[5,4-d]pyrimidin-8-yl]thio]ethyl]amine Formula: C20H32N8OS2 MolecularWeight: 464.65108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC=NC2=C1N=C(N=C2N3CCS(=O)CC3)N4CCNCC4

Isomeric SMILES

CCN(CC)CCSC1=NC=NC2=C1N=C(N=C2N3CCS(=O)CC3)N4CCNCC4

InChI

InChI=1S/C20H32N8OS2/c1-3-26(4-2)9-12-30-19-17-16(22-15-23-19)18(27-10-13-31(29)14-11-27)25-20(24-17)28-7-5-21-6-8-28/h15,21H,3-14H2,1-2H3