6-methylsulfanyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-N-(phenylmethyl)-2-piperazin-1-yl-pteridin-7-amine

Systemtic Name: 6-methylsulfanyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-N-(phenylmethyl)-2-piperazin-1-yl-pteridin-7-amine Openeye Name: N-benzyl-6-methylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pteridin-7-amine CAS Name: 6-(methylthio)-4-(1-oxo-1,4-thiazinan-4-yl)-N-(phenylmethyl)-2-(1-piperazinyl)-7-pteridinamine IUPAC Name: N-benzyl-6-methylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpteridin-7-amine Traditional Name: benzyl-[4-(1-keto-1,4-thiazinan-4-yl)-6-(methylthio)-2-piperazino-pteridin-7-yl]amine Formula: C22H28N8OS2 MolecularWeight: 484.64072

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N=C1NCC3=CC=CC=C3)N=C(N=C2N4CCS(=O)CC4)N5CCNCC5

Isomeric SMILES

CSC1=NC2=C(N=C1NCC3=CC=CC=C3)N=C(N=C2N4CCS(=O)CC4)N5CCNCC5

InChI

InChI=1S/C22H28N8OS2/c1-32-21-19(24-15-16-5-3-2-4-6-16)26-18-17(25-21)20(29-11-13-33(31)14-12-29)28-22(27-18)30-9-7-23-8-10-30/h2-6,23H,7-15H2,1H3,(H,24,26,27,28)