4-[[2-[(4-azanylcyclohexyl)amino]-7H-purin-6-yl]amino]benzaldehyde

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-7H-purin-6-yl]amino]benzaldehyde Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzaldehyde CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzaldehyde IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzaldehyde Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzaldehyde Formula: C18H21N7O MolecularWeight: 351.40564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)C=O)NC=N3

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)C=O)NC=N3

InChI

InChI=1S/C18H21N7O/c19-12-3-7-14(8-4-12)23-18-24-16-15(20-10-21-16)17(25-18)22-13-5-1-11(9-26)2-6-13/h1-2,5-6,9-10,12,14H,3-4,7-8,19H2,(H3,20,21,22,23,24,25)