2-azanyl-1-(2-methylpropanoyl)-4-[1-(4-nitrophenyl)ethyl]-5,9-dihydropurin-6-one

Systemtic Name: 2-azanyl-1-(2-methylpropanoyl)-4-[1-(4-nitrophenyl)ethyl]-5,9-dihydropurin-6-one Openeye Name: 2-amino-1-(2-methylpropanoyl)-4-[1-(4-nitrophenyl)ethyl]-5,9-dihydropurin-6-one CAS Name: 2-amino-1-(2-methyl-1-oxopropyl)-4-[1-(4-nitrophenyl)ethyl]-5,9-dihydropurin-6-one IUPAC Name: 2-amino-1-(2-methylpropanoyl)-4-[1-(4-nitrophenyl)ethyl]-5,9-dihydropurin-6-one Traditional Name: 2-amino-1-isobutyryl-4-[1-(4-nitrophenyl)ethyl]-5,9-dihydropurin-6-one Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(=O)C2C(NC=N2)(N=C1N)C(C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1C(=O)C2C(NC=N2)(N=C1N)C(C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-9(2)14(24)22-15(25)13-17(20-8-19-13,21-16(22)18)10(3)11-4-6-12(7-5-11)23(26)27/h4-10,13H,1-3H3,(H2,18,21)(H,19,20)