N-methyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-(phenylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-2-amine

Systemtic Name: N-methyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-(phenylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-2-amine Openeye Name: 8-benzylsulfanyl-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-amine CAS Name: N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-8-(phenylmethylthio)-2-pyrimido[5,4-d]pyrimidinamine IUPAC Name: 8-benzylsulfanyl-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-amine Traditional Name: [8-(benzylthio)-4-(1-keto-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]-methyl-amine Formula: C18H20N6OS2 MolecularWeight: 400.521

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=N1)N3CCS(=O)CC3)N=CN=C2SCC4=CC=CC=C4

Isomeric SMILES

CNC1=NC2=C(C(=N1)N3CCS(=O)CC3)N=CN=C2SCC4=CC=CC=C4

InChI

InChI=1S/C18H20N6OS2/c1-19-18-22-15-14(16(23-18)24-7-9-27(25)10-8-24)20-12-21-17(15)26-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,19,22,23)