4-[1,1-bis(oxidanyl)ethoxy]-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[1,1-bis(oxidanyl)ethoxy]-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidine-5-carbonitrile Openeye Name: 4-(1,1-dihydroxyethoxy)-2-piperazin-1-yl-6-thiomorpholino-pyrimidine-5-carbonitrile CAS Name: 4-(1,1-dihydroxyethoxy)-2-(1-piperazinyl)-6-thiomorpholin-4-yl-5-pyrimidinecarbonitrile IUPAC Name: 4-(1,1-dihydroxyethoxy)-2-piperazin-1-yl-6-thiomorpholin-4-ylpyrimidine-5-carbonitrile Traditional Name: 4-(1,1-dihydroxyethoxy)-2-piperazino-6-thiomorpholino-pyrimidine-5-carbonitrile Formula: C15H22N6O3S MolecularWeight: 366.43858

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)(O)OC1=NC(=NC(=C1C#N)N2CCSCC2)N3CCNCC3

Isomeric SMILES

CC(O)(O)OC1=NC(=NC(=C1C#N)N2CCSCC2)N3CCNCC3

InChI

InChI=1S/C15H22N6O3S/c1-15(22,23)24-13-11(10-16)12(20-6-8-25-9-7-20)18-14(19-13)21-4-2-17-3-5-21/h17,22-23H,2-9H2,1H3