4-(2,2-dimethylpropylamino)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-1-ynyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-1-ynyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-1-ynyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[3-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]prop-1-ynyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-1-ynyl]pyrimidine-2-carbonitrile Traditional Name: 5-[3-[4-(4-methoxyphenyl)sulfonylpiperazino]prop-1-ynyl]-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C24H30N6O3S MolecularWeight: 482.5984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C24H30N6O3S/c1-24(2,3)18-27-23-19(17-26-22(16-25)28-23)6-5-11-29-12-14-30(15-13-29)34(31,32)21-9-7-20(33-4)8-10-21/h7-10,17H,11-15,18H2,1-4H3,(H,26,27,28)