4-[2-chloranyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-yl]sulfanylphenol

Systemtic Name: 4-[2-chloranyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-yl]sulfanylphenol Openeye Name: 4-[2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-yl]sulfanylphenol CAS Name: 4-[[2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)-8-pyrimido[5,4-d]pyrimidinyl]thio]phenol IUPAC Name: 4-[2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-yl]sulfanylphenol Traditional Name: 4-[[2-chloro-4-(1-keto-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-yl]thio]phenol Formula: C16H14ClN5O2S2 MolecularWeight: 407.89766

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)CCN1C2=NC(=NC3=C2N=CN=C3SC4=CC=C(C=C4)O)Cl

Isomeric SMILES

C1CS(=O)CCN1C2=NC(=NC3=C2N=CN=C3SC4=CC=C(C=C4)O)Cl

InChI

InChI=1S/C16H14ClN5O2S2/c17-16-20-13-12(14(21-16)22-5-7-26(24)8-6-22)18-9-19-15(13)25-11-3-1-10(23)2-4-11/h1-4,9,23H,5-8H2