(2S)-N-(cyanomethyl)-2-[[2-[4-(furan-2-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-2-[[2-[4-(furan-2-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-methyl-pentanamide Openeye Name: (2S)-N-(cyanomethyl)-2-[[2-[4-(2-furyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-methyl-pentanamide CAS Name: (2S)-N-(cyanomethyl)-2-[[2-[4-(2-furanyl)-1-piperazinyl]-4-pyrimidinyl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-(cyanomethyl)-2-[[2-[4-(furan-2-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-methylpentanamide Traditional Name: (2S)-N-(cyanomethyl)-2-[[2-[4-(2-furyl)piperazino]pyrimidin-4-yl]amino]-4-methyl-valeramide Formula: C20H27N7O2 MolecularWeight: 397.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=NC(=NC=C1)N2CCN(CC2)C3=CC=CO3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC1=NC(=NC=C1)N2CCN(CC2)C3=CC=CO3

InChI

InChI=1S/C20H27N7O2/c1-15(2)14-16(19(28)22-8-6-21)24-17-5-7-23-20(25-17)27-11-9-26(10-12-27)18-4-3-13-29-18/h3-5,7,13,15-16H,8-12,14H2,1-2H3,(H,22,28)(H,23,24,25)/t16-/m0/s1