4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]pyrimidine-5-carbonitrile Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=NC=NC=C2C#N)C3=C4C(=CC=C3)OCCO4

Isomeric SMILES

C1CN(CCN1CCSC2=NC=NC=C2C#N)C3=C4C(=CC=C3)OCCO4

InChI

InChI=1S/C19H21N5O2S/c20-12-15-13-21-14-22-19(15)27-11-8-23-4-6-24(7-5-23)16-2-1-3-17-18(16)26-10-9-25-17/h1-3,13-14H,4-11H2