4-[8-methylsulfanyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[8-methylsulfanyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[8-methylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde CAS Name: 4-[8-(methylthio)-4-(1-oxo-1,4-thiazinan-4-yl)-2-pyrimido[5,4-d]pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[8-methylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[4-(1-keto-1,4-thiazinan-4-yl)-8-(methylthio)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde Formula: C16H21N7O2S2 MolecularWeight: 407.51364

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=C(N=C2N3CCS(=O)CC3)N4CCN(CC4)C=O

Isomeric SMILES

CSC1=NC=NC2=C1N=C(N=C2N3CCS(=O)CC3)N4CCN(CC4)C=O

InChI

InChI=1S/C16H21N7O2S2/c1-26-15-13-12(17-10-18-15)14(22-6-8-27(25)9-7-22)20-16(19-13)23-4-2-21(11-24)3-5-23/h10-11H,2-9H2,1H3