8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-thiophen-3-yl-quinoline

Systemtic Name: 8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-thiophen-3-yl-quinoline Openeye Name: 8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-(3-thienyl)quinoline CAS Name: 8-methyl-3-[(7H-purin-6-ylthio)methyl]-2-(3-thiophenyl)quinoline IUPAC Name: 8-methyl-3-(7H-purin-6-ylsulfanylmethyl)-2-thiophen-3-ylquinoline Traditional Name: 8-methyl-3-[(7H-purin-6-ylthio)methyl]-2-(3-thienyl)quinoline Formula: C20H15N5S2 MolecularWeight: 389.4966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)C3=CSC=C3)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)C3=CSC=C3)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C20H15N5S2/c1-12-3-2-4-13-7-15(17(25-16(12)13)14-5-6-26-8-14)9-27-20-18-19(22-10-21-18)23-11-24-20/h2-8,10-11H,9H2,1H3,(H,21,22,23,24)