4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]pyrimidine-5-carbonitrile Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O2S/c21-11-15-1-2-17(19-18(15)27-8-9-28-19)26-5-3-25(4-6-26)7-10-29-20-16(12-22)13-23-14-24-20/h1-2,13-14H,3-10H2