2-[[6-[[4-(3-nitrophenyl)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[6-[[4-(3-nitrophenyl)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[9-isopropyl-6-[[4-(3-nitrophenyl)phenyl]methylamino]purin-2-yl]amino]butan-1-ol CAS Name: 2-[[6-[[4-(3-nitrophenyl)phenyl]methylamino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-[[4-(3-nitrophenyl)phenyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[9-isopropyl-6-[[4-(3-nitrophenyl)benzyl]amino]purin-2-yl]amino]butan-1-ol Formula: C25H29N7O3 MolecularWeight: 475.54286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-])N=CN2C(C)C

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-])N=CN2C(C)C

InChI

InChI=1S/C25H29N7O3/c1-4-20(14-33)28-25-29-23(22-24(30-25)31(15-27-22)16(2)3)26-13-17-8-10-18(11-9-17)19-6-5-7-21(12-19)32(34)35/h5-12,15-16,20,33H,4,13-14H2,1-3H3,(H2,26,28,29,30)