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

Systemtic Name: 2-diethylaminoethyl 4-[[2-[(4-azanylcyclohexyl)amino]-7H-purin-6-yl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C24H34N8O2 MolecularWeight: 466.57916

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)NC4CCC(CC4)N

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)NC4CCC(CC4)N

InChI

InChI=1S/C24H34N8O2/c1-3-32(4-2)13-14-34-23(33)16-5-9-18(10-6-16)28-22-20-21(27-15-26-20)30-24(31-22)29-19-11-7-17(25)8-12-19/h5-6,9-10,15,17,19H,3-4,7-8,11-14,25H2,1-2H3,(H3,26,27,28,29,30,31)