ethyl N'-[4-[2-[(2-azanylpteridin-4-yl)amino]ethoxy]phenyl]carbamimidothioate

Systemtic Name: ethyl N'-[4-[2-[(2-azanylpteridin-4-yl)amino]ethoxy]phenyl]carbamimidothioate Openeye Name: 3-[4-[2-[(2-aminopteridin-4-yl)amino]ethoxy]phenyl]-2-ethyl-isothiourea CAS Name: N'-[4-[2-[(2-amino-4-pteridinyl)amino]ethoxy]phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[4-[2-[(2-aminopteridin-4-yl)amino]ethoxy]phenyl]carbamimidothioate Traditional Name: 3-[4-[2-[(2-aminopteridin-4-yl)amino]ethoxy]phenyl]-2-ethyl-isothiourea Formula: C17H20N8OS MolecularWeight: 384.4587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=C(C=C1)OCCNC2=NC(=NC3=NC=CN=C32)N)N

Isomeric SMILES

CCSC(=NC1=CC=C(C=C1)OCCNC2=NC(=NC3=NC=CN=C32)N)N

InChI

InChI=1S/C17H20N8OS/c1-2-27-17(19)23-11-3-5-12(6-4-11)26-10-9-22-15-13-14(21-8-7-20-13)24-16(18)25-15/h3-8H,2,9-10H2,1H3,(H2,19,23)(H3,18,21,22,24,25)