4-(2-chloranyl-8-phenylsulfanyl-pyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide

Systemtic Name: 4-(2-chloranyl-8-phenylsulfanyl-pyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide Openeye Name: 4-(2-chloro-8-phenylsulfanyl-pyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide CAS Name: 4-[2-chloro-8-(phenylthio)-4-pyrimido[5,4-d]pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-(2-chloro-8-phenylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide Traditional Name: 4-[2-chloro-8-(phenylthio)pyrimido[5,4-d]pyrimidin-4-yl]-1,4-thiazinane 1-oxide Formula: C16H14ClN5OS2 MolecularWeight: 391.89826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5OS2/c17-16-20-13-12(14(21-16)22-6-8-25(23)9-7-22)18-10-19-15(13)24-11-4-2-1-3-5-11/h1-5,10H,6-9H2