3-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]carbonylchromen-2-one Openeye Name: 3-[(3S)-3-[5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]chromen-2-one CAS Name: 3-[[(3S)-3-[5-methyl-2-(2-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]chromen-2-one Traditional Name: 3-[(3S)-3-[5-methyl-2-(2-pyridylmethylthio)pyrimidin-4-yl]piperidine-1-carbonyl]coumarin Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4OC3=O)SCC5=CC=CC=N5

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC4=CC=CC=C4OC3=O)SCC5=CC=CC=N5

InChI

InChI=1S/C26H24N4O3S/c1-17-14-28-26(34-16-20-9-4-5-11-27-20)29-23(17)19-8-6-12-30(15-19)24(31)21-13-18-7-2-3-10-22(18)33-25(21)32/h2-5,7,9-11,13-14,19H,6,8,12,15-16H2,1H3/t19-/m0/s1