[(3S)-3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyrazin-2-yl-methanone

Systemtic Name: [(3S)-3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyrazin-2-yl-methanone Openeye Name: [(3S)-3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]-1-piperidyl]-pyrazin-2-yl-methanone CAS Name: [(3S)-3-[2-(2-methoxyethylthio)-5-(3-methoxyphenyl)-4-pyrimidinyl]-1-piperidinyl]-(2-pyrazinyl)methanone IUPAC Name: [(3S)-3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyrazin-2-ylmethanone Traditional Name: [(3S)-3-[2-(2-methoxyethylthio)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidino]-pyrazin-2-yl-methanone Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=NC=CN=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

COCCSC1=NC=C(C(=N1)[C@H]2CCCN(C2)C(=O)C3=NC=CN=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H27N5O3S/c1-31-11-12-33-24-27-14-20(17-5-3-7-19(13-17)32-2)22(28-24)18-6-4-10-29(16-18)23(30)21-15-25-8-9-26-21/h3,5,7-9,13-15,18H,4,6,10-12,16H2,1-2H3/t18-/m0/s1