3-[(E)-2-[2-[(2-methyl-6-piperazin-1-yl-pyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]phenol

Systemtic Name: 3-[(E)-2-[2-[(2-methyl-6-piperazin-1-yl-pyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]phenol Openeye Name: 3-[(E)-2-[2-[(2-methyl-6-piperazin-1-yl-pyrimidin-4-yl)amino]thiazol-5-yl]vinyl]phenol CAS Name: 3-[(E)-2-[2-[[2-methyl-6-(1-piperazinyl)-4-pyrimidinyl]amino]-5-thiazolyl]ethenyl]phenol IUPAC Name: 3-[(E)-2-[2-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]phenol Traditional Name: 3-[(E)-2-[2-[(2-methyl-6-piperazino-pyrimidin-4-yl)amino]thiazol-5-yl]vinyl]phenol Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=NC=C(S2)C=CC3=CC(=CC=C3)O)N4CCNCC4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=NC=C(S2)/C=C/C3=CC(=CC=C3)O)N4CCNCC4

InChI

InChI=1S/C20H22N6OS/c1-14-23-18(12-19(24-14)26-9-7-21-8-10-26)25-20-22-13-17(28-20)6-5-15-3-2-4-16(27)11-15/h2-6,11-13,21,27H,7-10H2,1H3,(H,22,23,24,25)/b6-5+