N-ethyl-3-[(4-nitro-3-phenylmethoxy-phenyl)methyl]-8-propan-2-yl-purin-6-amine

Systemtic Name: N-ethyl-3-[(4-nitro-3-phenylmethoxy-phenyl)methyl]-8-propan-2-yl-purin-6-amine Openeye Name: 3-[(3-benzyloxy-4-nitro-phenyl)methyl]-N-ethyl-8-isopropyl-purin-6-amine CAS Name: N-ethyl-3-[(4-nitro-3-phenylmethoxyphenyl)methyl]-8-propan-2-yl-6-purinamine IUPAC Name: N-ethyl-3-[(4-nitro-3-phenylmethoxyphenyl)methyl]-8-propan-2-ylpurin-6-amine Traditional Name: [3-(3-benzoxy-4-nitro-benzyl)-8-isopropyl-purin-6-yl]-ethyl-amine Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N6O3/c1-4-25-23-21-24(28-22(27-21)16(2)3)29(15-26-23)13-18-10-11-19(30(31)32)20(12-18)33-14-17-8-6-5-7-9-17/h5-12,15-16,25H,4,13-14H2,1-3H3