3-[2-(3-methoxyphenyl)-6-(methylsulfanylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: 3-[2-(3-methoxyphenyl)-6-(methylsulfanylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-[2-(3-methoxyphenyl)-6-(methylsulfanylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-[2-(3-methoxyphenyl)-6-[(methylthio)methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-[2-(3-methoxyphenyl)-6-(methylsulfanylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]triazolo[4,5-d]pyrimidin-7-amine Traditional Name: [3-[2-(3-methoxyphenyl)-6-[(methylthio)methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]triazolo[4,5-d]pyrimidin-7-yl]amine Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2OC3C(OC(C3O2)N4C5=C(C(=NC=N5)N)N=N4)CSC

Isomeric SMILES

COC1=CC=CC(=C1)C2OC3C(OC(C3O2)N4C5=C(C(=NC=N5)N)N=N4)CSC

InChI

InChI=1S/C18H20N6O4S/c1-25-10-5-3-4-9(6-10)18-27-13-11(7-29-2)26-17(14(13)28-18)24-16-12(22-23-24)15(19)20-8-21-16/h3-6,8,11,13-14,17-18H,7H2,1-2H3,(H2,19,20,21)