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

Systemtic Name: 2-[4-(2-dimethylaminoethyl)piperazin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine Openeye Name: 2-[4-(2-dimethylaminoethyl)piperazin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine CAS Name: 2-[4-(2-dimethylaminoethyl)-1-piperazinyl]-9-ethyl-N-(3-nitrophenyl)-6-purinamine IUPAC Name: 2-[4-(2-dimethylaminoethyl)piperazin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine Traditional Name: 2-[4-[9-ethyl-6-(3-nitroanilino)purin-2-yl]piperazino]ethyl-dimethyl-amine Formula: C21H29N9O2 MolecularWeight: 439.51406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N9O2/c1-4-28-15-22-18-19(23-16-6-5-7-17(14-16)30(31)32)24-21(25-20(18)28)29-12-10-27(11-13-29)9-8-26(2)3/h5-7,14-15H,4,8-13H2,1-3H3,(H,23,24,25)