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

Systemtic Name: 4-[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl]sulfanylphenol Openeye Name: 4-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl]sulfanylphenol CAS Name: 4-[[4-(1-oxo-1,4-thiazinan-4-yl)-2-(1-piperazinyl)-8-pyrimido[5,4-d]pyrimidinyl]thio]phenol IUPAC Name: 4-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl]sulfanylphenol Traditional Name: 4-[[4-(1-keto-1,4-thiazinan-4-yl)-2-piperazino-pyrimido[5,4-d]pyrimidin-8-yl]thio]phenol Formula: C20H23N7O2S2 MolecularWeight: 457.57232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SC5=CC=C(C=C5)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SC5=CC=C(C=C5)O

InChI

InChI=1S/C20H23N7O2S2/c28-14-1-3-15(4-2-14)30-19-17-16(22-13-23-19)18(26-9-11-31(29)12-10-26)25-20(24-17)27-7-5-21-6-8-27/h1-4,13,21,28H,5-12H2