4-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[3-[5-methyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[5-methyl-2-(2-oxolanylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[3-[5-methyl-2-(tetrahydrofurfurylthio)pyrimidin-4-yl]piperidine-1-carbonyl]-2H-phthalazin-1-one Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43)SCC5CCCO5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43)SCC5CCCO5

InChI

InChI=1S/C24H27N5O3S/c1-15-12-25-24(33-14-17-7-5-11-32-17)26-20(15)16-6-4-10-29(13-16)23(31)21-18-8-2-3-9-19(18)22(30)28-27-21/h2-3,8-9,12,16-17H,4-7,10-11,13-14H2,1H3,(H,28,30)