O-[3-chloranyl-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]phenyl] propylsulfanylmethanethioate

Systemtic Name: O-[3-chloranyl-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]phenyl] propylsulfanylmethanethioate Openeye Name: O-[3-chloro-4-[5-(1-ethylpropylamino)-6-methoxy-3-methyl-pyrazin-2-yl]phenyl] propylsulfanylmethanethioate CAS Name: (propylthio)methanethioic acid O-[3-chloro-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)-2-pyrazinyl]phenyl] ester IUPAC Name: O-[3-chloro-4-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]phenyl] propylsulfanylmethanethioate Traditional Name: (propylthio)methanethioic acid O-[3-chloro-4-[5-(1-ethylpropylamino)-6-methoxy-3-methyl-pyrazin-2-yl]phenyl] ester Formula: C21H28ClN3O2S2 MolecularWeight: 454.04892

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=S)OC1=CC(=C(C=C1)C2=C(N=C(C(=N2)OC)NC(CC)CC)C)Cl

Isomeric SMILES

CCCSC(=S)OC1=CC(=C(C=C1)C2=C(N=C(C(=N2)OC)NC(CC)CC)C)Cl

InChI

InChI=1S/C21H28ClN3O2S2/c1-6-11-29-21(28)27-15-9-10-16(17(22)12-15)18-13(4)23-19(20(25-18)26-5)24-14(7-2)8-3/h9-10,12,14H,6-8,11H2,1-5H3,(H,23,24)