4-[4-methyl-2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-2-[(3-piperazin-1-ylcarbonylphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-methyl-2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-2-[(3-piperazin-1-ylcarbonylphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-[4-methyl-2-(3-pyridylmethylamino)thiazol-5-yl]-2-[3-(piperazine-1-carbonyl)anilino]pyrimidine-5-carbonitrile CAS Name: 4-[4-methyl-2-(3-pyridinylmethylamino)-5-thiazolyl]-2-[3-[oxo(1-piperazinyl)methyl]anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-methyl-2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-2-[3-(piperazine-1-carbonyl)anilino]pyrimidine-5-carbonitrile Traditional Name: 4-[4-methyl-2-(3-pyridylmethylamino)thiazol-5-yl]-2-[3-(piperazine-1-carbonyl)anilino]pyrimidine-5-carbonitrile Formula: C26H25N9OS MolecularWeight: 511.6014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=CN=CC=C2)C3=NC(=NC=C3C#N)NC4=CC=CC(=C4)C(=O)N5CCNCC5

Isomeric SMILES

CC1=C(SC(=N1)NCC2=CN=CC=C2)C3=NC(=NC=C3C#N)NC4=CC=CC(=C4)C(=O)N5CCNCC5

InChI

InChI=1S/C26H25N9OS/c1-17-23(37-26(32-17)31-15-18-4-3-7-29-14-18)22-20(13-27)16-30-25(34-22)33-21-6-2-5-19(12-21)24(36)35-10-8-28-9-11-35/h2-7,12,14,16,28H,8-11,15H2,1H3,(H,31,32)(H,30,33,34)