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

Systemtic Name: 4-[8-ethylsulfanyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[8-ethylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde CAS Name: 4-[8-(ethylthio)-4-(1-oxo-1,4-thiazinan-4-yl)-2-pyrimido[5,4-d]pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[8-ethylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[8-(ethylthio)-4-(1-keto-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde Formula: C17H23N7O2S2 MolecularWeight: 421.54022

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=NC2=C1N=C(N=C2N3CCS(=O)CC3)N4CCN(CC4)C=O

Isomeric SMILES

CCSC1=NC=NC2=C1N=C(N=C2N3CCS(=O)CC3)N4CCN(CC4)C=O

InChI

InChI=1S/C17H23N7O2S2/c1-2-27-16-14-13(18-11-19-16)15(23-7-9-28(26)10-8-23)21-17(20-14)24-5-3-22(12-25)4-6-24/h11-12H,2-10H2,1H3