N-[2-methyl-3-[6-(pyridin-2-ylamino)pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-methyl-3-[6-(pyridin-2-ylamino)pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-methyl-3-[6-(2-pyridylamino)pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-methyl-3-[6-(2-pyridinylamino)-4-pyrimidinyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-methyl-3-[6-(pyridin-2-ylamino)pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-methyl-3-[6-(2-pyridylamino)pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCC3)C4=CC(=NC=N4)NC5=CC=CC=N5

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCC3)C4=CC(=NC=N4)NC5=CC=CC=N5

InChI

InChI=1S/C25H23N5OS/c1-16-18(20-14-24(28-15-27-20)30-23-11-4-5-12-26-23)8-6-9-19(16)29-25(31)22-13-17-7-2-3-10-21(17)32-22/h4-6,8-9,11-15H,2-3,7,10H2,1H3,(H,29,31)(H,26,27,28,30)