2-(1,3-benzothiazol-2-yl)-2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(4-methyl-1-piperazinyl)propylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(4-methylpiperazino)propylamino]pyrimidin-4-yl]acetonitrile Formula: C21H25N7S MolecularWeight: 407.5351

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1CCN(CC1)CCCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N7S/c1-27-11-13-28(14-12-27)10-4-8-23-21-24-9-7-17(26-21)16(15-22)20-25-18-5-2-3-6-19(18)29-20/h2-3,5-7,9,16H,4,8,10-14H2,1H3,(H,23,24,26)