4-(cyclopropylamino)-2-[[4-[(2S)-2-methyl-4-methylsulfonyl-piperazin-1-yl]phenyl]amino]pyrimidine-5-carboxamide

Systemtic Name: 4-(cyclopropylamino)-2-[[4-[(2S)-2-methyl-4-methylsulfonyl-piperazin-1-yl]phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 4-(cyclopropylamino)-2-[4-[(2S)-2-methyl-4-methylsulfonyl-piperazin-1-yl]anilino]pyrimidine-5-carboxamide CAS Name: 4-(cyclopropylamino)-2-[4-[(2S)-2-methyl-4-methylsulfonyl-1-piperazinyl]anilino]-5-pyrimidinecarboxamide IUPAC Name: 4-(cyclopropylamino)-2-[4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]anilino]pyrimidine-5-carboxamide Traditional Name: 4-(cyclopropylamino)-2-[4-[(2S)-4-mesyl-2-methyl-piperazino]anilino]pyrimidine-5-carboxamide Formula: C20H27N7O3S MolecularWeight: 445.53848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N)S(=O)(=O)C

Isomeric SMILES

C[C@H]1CN(CCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N)S(=O)(=O)C

InChI

InChI=1S/C20H27N7O3S/c1-13-12-26(31(2,29)30)9-10-27(13)16-7-5-15(6-8-16)24-20-22-11-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H2,21,28)(H2,22,23,24,25)/t13-/m0/s1