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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3)SCC5=CN=CC=C5

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3)SCC5=CN=CC=C5

InChI

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