phenyl N-[3-[(6-oxidanylidene-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamate

Systemtic Name: phenyl N-[3-[(6-oxidanylidene-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamate Openeye Name: phenyl N-[3-[(6-oxo-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamate CAS Name: N-[3-[[(6-oxo-5,9-dihydropurin-8-yl)thio]methyl]phenyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[3-[(6-oxo-5,9-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamate Traditional Name: N-[3-[[(6-keto-5,9-dihydropurin-8-yl)thio]methyl]phenyl]carbamic acid phenyl ester Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)NC2=CC=CC(=C2)CSC3=NC4C(=NC=NC4=O)N3

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)NC2=CC=CC(=C2)CSC3=NC4C(=NC=NC4=O)N3

InChI

InChI=1S/C19H15N5O3S/c25-17-15-16(20-11-21-17)24-18(23-15)28-10-12-5-4-6-13(9-12)22-19(26)27-14-7-2-1-3-8-14/h1-9,11,15H,10H2,(H,22,26)(H,20,21,23,24,25)