4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-[9-(m-tolylmethyl)-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[9-[(3-methylphenyl)methyl]-6-(2-oxolanylmethylamino)-2-purinyl]-N-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-[9-(3-methylbenzyl)-6-(tetrahydrofurfurylamino)purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C29H33N9O4 MolecularWeight: 571.63022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)NC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)NC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H33N9O4/c1-20-4-2-5-21(16-20)18-37-19-31-25-26(30-17-24-6-3-15-42-24)33-28(34-27(25)37)35-11-13-36(14-12-35)29(39)32-22-7-9-23(10-8-22)38(40)41/h2,4-5,7-10,16,19,24H,3,6,11-15,17-18H2,1H3,(H,32,39)(H,30,33,34)