N6-(1-benzothiophen-6-yl)-N2-(3-methoxyphenyl)-7H-purine-2,6-diamine

Systemtic Name: N6-(1-benzothiophen-6-yl)-N2-(3-methoxyphenyl)-7H-purine-2,6-diamine Openeye Name: N6-(benzothiophen-6-yl)-N2-(3-methoxyphenyl)-7H-purine-2,6-diamine CAS Name: N6-(1-benzothiophen-6-yl)-N2-(3-methoxyphenyl)-7H-purine-2,6-diamine IUPAC Name: 6-N-(1-benzothiophen-6-yl)-2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine Traditional Name: benzothiophen-6-yl-[2-(m-anisidino)-7H-purin-6-yl]amine Formula: C20H16N6OS MolecularWeight: 388.44564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)C=CS5)NC=N3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)C=CS5)NC=N3

InChI

InChI=1S/C20H16N6OS/c1-27-15-4-2-3-13(9-15)24-20-25-18-17(21-11-22-18)19(26-20)23-14-6-5-12-7-8-28-16(12)10-14/h2-11H,1H3,(H3,21,22,23,24,25,26)