N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylmethylsulfanyl)-6-piperazin-1-yl-pyrimidin-4-amine

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylmethylsulfanyl)-6-piperazin-1-yl-pyrimidin-4-amine Openeye Name: 2-benzylsulfanyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperazin-1-yl-pyrimidin-4-amine CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylmethylthio)-6-(1-piperazinyl)-4-pyrimidinamine IUPAC Name: 2-benzylsulfanyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperazin-1-ylpyrimidin-4-amine Traditional Name: [2-(benzylthio)-6-piperazino-pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C19H23N7S MolecularWeight: 381.49782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCNCC3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCNCC3)SCC4=CC=CC=C4

InChI

InChI=1S/C19H23N7S/c1-14-11-17(25-24-14)21-16-12-18(26-9-7-20-8-10-26)23-19(22-16)27-13-15-5-3-2-4-6-15/h2-6,11-12,20H,7-10,13H2,1H3,(H2,21,22,23,24,25)