(phenylmethyl) 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[6-(1H-indazol-3-ylamino)-2-(o-tolyl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(1H-indazol-3-ylamino)-2-(o-tolyl)pyrimidin-4-yl]piperazine-1-carboxylic acid benzyl ester Formula: C30H29N7O2 MolecularWeight: 519.59696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CC(=N2)NC3=NNC4=CC=CC=C43)N5CCN(CC5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=CC(=N2)NC3=NNC4=CC=CC=C43)N5CCN(CC5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C30H29N7O2/c1-21-9-5-6-12-23(21)28-31-26(32-29-24-13-7-8-14-25(24)34-35-29)19-27(33-28)36-15-17-37(18-16-36)30(38)39-20-22-10-3-2-4-11-22/h2-14,19H,15-18,20H2,1H3,(H2,31,32,33,34,35)