9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-nitrophenyl)purin-6-amine

Systemtic Name: 9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-nitrophenyl)purin-6-amine Openeye Name: 9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-nitrophenyl)purin-6-amine CAS Name: 9-ethyl-2-[4-(4-methoxyphenyl)-1-piperazinyl]-N-(3-nitrophenyl)-6-purinamine IUPAC Name: 9-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-nitrophenyl)purin-6-amine Traditional Name: [9-ethyl-2-[4-(4-methoxyphenyl)piperazino]purin-6-yl]-(3-nitrophenyl)amine Formula: C24H26N8O3 MolecularWeight: 474.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C24H26N8O3/c1-3-29-16-25-21-22(26-17-5-4-6-19(15-17)32(33)34)27-24(28-23(21)29)31-13-11-30(12-14-31)18-7-9-20(35-2)10-8-18/h4-10,15-16H,3,11-14H2,1-2H3,(H,26,27,28)