(phenylmethyl) N-[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]carbamodithioate

Systemtic Name: (phenylmethyl) N-[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]carbamodithioate Openeye Name: benzyl N-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]carbamodithioate CAS Name: N-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]carbamodithioic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]carbamodithioate Traditional Name: N-(5-adenin-9-yl-4-hydroxy-2-methylol-tetrahydrofuran-3-yl)carbamodithioic acid benzyl ester Formula: C18H20N6O3S2 MolecularWeight: 432.5198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=S)NC2C(OC(C2O)N3C=NC4=C3N=CN=C4N)CO

Isomeric SMILES

C1=CC=C(C=C1)CSC(=S)NC2C(OC(C2O)N3C=NC4=C3N=CN=C4N)CO

InChI

InChI=1S/C18H20N6O3S2/c19-15-13-16(21-8-20-15)24(9-22-13)17-14(26)12(11(6-25)27-17)23-18(28)29-7-10-4-2-1-3-5-10/h1-5,8-9,11-12,14,17,25-26H,6-7H2,(H,23,28)(H2,19,20,21)