N-(2-azanyl-2-oxidanylidene-ethyl)-2-[8-(3-nitrophenyl)purin-1-yl]-N-propyl-ethanamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-2-[8-(3-nitrophenyl)purin-1-yl]-N-propyl-ethanamide Openeye Name: N-(2-amino-2-oxo-ethyl)-2-[8-(3-nitrophenyl)purin-1-yl]-N-propyl-acetamide CAS Name: N-(2-amino-2-oxoethyl)-2-[8-(3-nitrophenyl)-1-purinyl]-N-propylacetamide IUPAC Name: N-(2-amino-2-oxoethyl)-2-[8-(3-nitrophenyl)purin-1-yl]-N-propylacetamide Traditional Name: N-(2-amino-2-keto-ethyl)-2-[8-(3-nitrophenyl)purin-1-yl]-N-propyl-acetamide Formula: C18H19N7O4 MolecularWeight: 397.38796

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N)C(=O)CN1C=C2C(=NC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])N=C1

Isomeric SMILES

CCCN(CC(=O)N)C(=O)CN1C=C2C(=NC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])N=C1

InChI

InChI=1S/C18H19N7O4/c1-2-6-24(9-15(19)26)16(27)10-23-8-14-18(20-11-23)22-17(21-14)12-4-3-5-13(7-12)25(28)29/h3-5,7-8,11H,2,6,9-10H2,1H3,(H2,19,26)