N-[(E)-4-bis(oxidanyl)phosphinothioyloxy-3-methyl-but-2-enyl]-7H-purin-6-amine

Systemtic Name: N-[(E)-4-bis(oxidanyl)phosphinothioyloxy-3-methyl-but-2-enyl]-7H-purin-6-amine Openeye Name: N-[(E)-4-dihydroxyphosphinothioyloxy-3-methyl-but-2-enyl]-7H-purin-6-amine CAS Name: N-[(E)-4-dihydroxyphosphinothioyloxy-3-methylbut-2-enyl]-7H-purin-6-amine IUPAC Name: N-[(E)-4-dihydroxyphosphinothioyloxy-3-methylbut-2-enyl]-7H-purin-6-amine Traditional Name: [(E)-4-dihydroxythiophosphoryloxy-3-methyl-but-2-enyl]-(7H-purin-6-yl)amine Formula: C10H14N5O3PS MolecularWeight: 315.288621

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1NC=N2)COP(=S)(O)O

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1NC=N2)/COP(=S)(O)O

InChI

InChI=1S/C10H14N5O3PS/c1-7(4-18-19(16,17)20)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6H,3-4H2,1H3,(H2,16,17,20)(H2,11,12,13,14,15)/b7-2+