3-azanyl-4-(9-ethylpurin-6-yl)-2-[(4-oxidanylcyclohexyl)amino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-azanyl-4-(9-ethylpurin-6-yl)-2-[(4-oxidanylcyclohexyl)amino]-N-(phenylmethyl)benzamide Openeye Name: 3-amino-N-benzyl-4-(9-ethylpurin-6-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide CAS Name: 3-amino-4-(9-ethyl-6-purinyl)-2-[(4-hydroxycyclohexyl)amino]-N-(phenylmethyl)benzamide IUPAC Name: 3-amino-N-benzyl-4-(9-ethylpurin-6-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide Traditional Name: 3-amino-N-benzyl-4-(9-ethylpurin-6-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide Formula: C27H31N7O2 MolecularWeight: 485.58074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C(N=CN=C21)C3=C(C(=C(C=C3)C(=O)NCC4=CC=CC=C4)NC5CCC(CC5)O)N

Isomeric SMILES

CCN1C=NC2=C(N=CN=C21)C3=C(C(=C(C=C3)C(=O)NCC4=CC=CC=C4)NC5CCC(CC5)O)N

InChI

InChI=1S/C27H31N7O2/c1-2-34-16-32-25-24(30-15-31-26(25)34)20-12-13-21(27(36)29-14-17-6-4-3-5-7-17)23(22(20)28)33-18-8-10-19(35)11-9-18/h3-7,12-13,15-16,18-19,33,35H,2,8-11,14,28H2,1H3,(H,29,36)