3-[[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-phenethyloxy-pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-phenethyloxy-pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-1-ol Openeye Name: 3-[[4-(1-oxo-1,4-thiazinan-4-yl)-8-phenethyloxy-pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-1-ol CAS Name: 3-[[4-(1-oxo-1,4-thiazinan-4-yl)-8-phenethyloxy-2-pyrimido[5,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[4-(1-oxo-1,4-thiazinan-4-yl)-8-phenethyloxypyrimido[5,4-d]pyrimidin-2-yl]amino]propan-1-ol Traditional Name: 3-[[4-(1-keto-1,4-thiazinan-4-yl)-8-phenethyloxy-pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-1-ol Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)CCN1C2=NC(=NC3=C2N=CN=C3OCCC4=CC=CC=C4)NCCCO

Isomeric SMILES

C1CS(=O)CCN1C2=NC(=NC3=C2N=CN=C3OCCC4=CC=CC=C4)NCCCO

InChI

InChI=1S/C21H26N6O3S/c28-11-4-8-22-21-25-18-17(19(26-21)27-9-13-31(29)14-10-27)23-15-24-20(18)30-12-7-16-5-2-1-3-6-16/h1-3,5-6,15,28H,4,7-14H2,(H,22,25,26)