2-[2-[2-(2-azanyl-5-cyano-phenoxy)-8-methyl-purin-3-yl]oxyphenyl]guanidine

Systemtic Name: 2-[2-[2-(2-azanyl-5-cyano-phenoxy)-8-methyl-purin-3-yl]oxyphenyl]guanidine Openeye Name: 2-[2-[2-(2-amino-5-cyano-phenoxy)-8-methyl-purin-3-yl]oxyphenyl]guanidine CAS Name: 2-[2-[[2-(2-amino-5-cyanophenoxy)-8-methyl-3-purinyl]oxy]phenyl]guanidine IUPAC Name: 2-[2-[2-(2-amino-5-cyanophenoxy)-8-methylpurin-3-yl]oxyphenyl]guanidine Traditional Name: 2-[2-[2-(2-amino-5-cyano-phenoxy)-8-methyl-purin-3-yl]oxyphenyl]guanidine Formula: C20H17N9O2 MolecularWeight: 415.40808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3N=C(N)N)OC4=C(C=CC(=C4)C#N)N

Isomeric SMILES

CC1=NC2=CN=C(N(C2=N1)OC3=CC=CC=C3N=C(N)N)OC4=C(C=CC(=C4)C#N)N

InChI

InChI=1S/C20H17N9O2/c1-11-26-15-10-25-20(30-17-8-12(9-21)6-7-13(17)22)29(18(15)27-11)31-16-5-3-2-4-14(16)28-19(23)24/h2-8,10H,22H2,1H3,(H4,23,24,28)