3-azanyl-1-[2-[4-chloranyl-6-[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoyl]azepan-2-one

Systemtic Name: 3-azanyl-1-[2-[4-chloranyl-6-[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoyl]azepan-2-one Openeye Name: 3-amino-1-[2-[4-(4-benzoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylacetyl]azepan-2-one CAS Name: 3-amino-1-[2-[[4-(4-benzoyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-1-oxoethyl]-2-azepanone IUPAC Name: 3-amino-1-[2-[4-(4-benzoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylacetyl]azepan-2-one Traditional Name: 3-amino-1-[2-[[4-(4-benzoyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]acetyl]azepan-2-one Formula: C24H29ClN6O3S MolecularWeight: 517.04346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)N4CCCCC(C4=O)N)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)N4CCCCC(C4=O)N)Cl

InChI

InChI=1S/C24H29ClN6O3S/c1-16-14-29(11-12-30(16)22(33)17-7-3-2-4-8-17)20-13-19(25)27-24(28-20)35-15-21(32)31-10-6-5-9-18(26)23(31)34/h2-4,7-8,13,16,18H,5-6,9-12,14-15,26H2,1H3