[6-carbamimidoylsulfanyl-5-[(4-ethoxyphenyl)methyl]pyrimidin-4-yl] carbamimidothioate

Systemtic Name: [6-carbamimidoylsulfanyl-5-[(4-ethoxyphenyl)methyl]pyrimidin-4-yl] carbamimidothioate Openeye Name: 2-[6-carbamimidoylsulfanyl-5-[(4-ethoxyphenyl)methyl]pyrimidin-4-yl]isothiourea CAS Name: carbamimidothioic acid [6-(carbamimidoylthio)-5-[(4-ethoxyphenyl)methyl]-4-pyrimidinyl] ester IUPAC Name: [6-carbamimidoylsulfanyl-5-[(4-ethoxyphenyl)methyl]pyrimidin-4-yl] carbamimidothioate Traditional Name: 2-[6-(amidinothio)-5-(4-ethoxybenzyl)pyrimidin-4-yl]isothiourea Formula: C15H18N6OS2 MolecularWeight: 362.47302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=C(N=CN=C2SC(=N)N)SC(=N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=C(N=CN=C2SC(=N)N)SC(=N)N

InChI

InChI=1S/C15H18N6OS2/c1-2-22-10-5-3-9(4-6-10)7-11-12(23-14(16)17)20-8-21-13(11)24-15(18)19/h3-6,8H,2,7H2,1H3,(H3,16,17)(H3,18,19)