3-[[6-[3-(2-azanylethyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]-4-chloranyl-benzenecarboximidamide

Systemtic Name: 3-[[6-[3-(2-azanylethyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]-4-chloranyl-benzenecarboximidamide Openeye Name: 3-[[6-[3-(2-aminoethyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]-4-chloro-benzamidine CAS Name: 3-[[6-[3-(2-aminoethyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]-4-chlorobenzenecarboximidamide IUPAC Name: 3-[[6-[3-(2-aminoethyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]-4-chlorobenzenecarboximidamide Traditional Name: 3-[[6-[3-(2-aminoethyl)phenoxy]-8-methyl-7H-purin-2-yl]oxy]-4-chloro-benzamidine Formula: C21H20ClN7O2 MolecularWeight: 437.8822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)Cl)OC4=CC=CC(=C4)CCN

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)OC3=C(C=CC(=C3)C(=N)N)Cl)OC4=CC=CC(=C4)CCN

InChI

InChI=1S/C21H20ClN7O2/c1-11-26-17-19(27-11)28-21(31-16-10-13(18(24)25)5-6-15(16)22)29-20(17)30-14-4-2-3-12(9-14)7-8-23/h2-6,9-10H,7-8,23H2,1H3,(H3,24,25)(H,26,27,28,29)