methyl N-[2-[(E)-but-2-enyl]sulfanyl-7H-purin-8-yl]carbamate

Systemtic Name: methyl N-[2-[(E)-but-2-enyl]sulfanyl-7H-purin-8-yl]carbamate Openeye Name: methyl N-[2-[(E)-but-2-enyl]sulfanyl-7H-purin-8-yl]carbamate CAS Name: N-[2-[[(E)-but-2-enyl]thio]-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(E)-but-2-enyl]sulfanyl-7H-purin-8-yl]carbamate Traditional Name: N-[2-[[(E)-but-2-enyl]thio]-7H-purin-8-yl]carbamic acid methyl ester Formula: C11H13N5O2S MolecularWeight: 279.31822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=NC=C2C(=N1)N=C(N2)NC(=O)OC

Isomeric SMILES

C/C=C/CSC1=NC=C2C(=N1)N=C(N2)NC(=O)OC

InChI

InChI=1S/C11H13N5O2S/c1-3-4-5-19-10-12-6-7-8(15-10)14-9(13-7)16-11(17)18-2/h3-4,6H,5H2,1-2H3,(H2,12,13,14,15,16,17)/b4-3+