3-butyl-7-cyclopentyl-8-(4-nitrophenyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-cyclopentyl-8-(4-nitrophenyl)purine-2,6-dione Openeye Name: 3-butyl-7-cyclopentyl-8-(4-nitrophenyl)purine-2,6-dione CAS Name: 3-butyl-7-cyclopentyl-8-(4-nitrophenyl)purine-2,6-dione IUPAC Name: 3-butyl-7-cyclopentyl-8-(4-nitrophenyl)purine-2,6-dione Traditional Name: 3-butyl-7-cyclopentyl-8-(4-nitrophenyl)xanthine Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCC4

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCC4

InChI

InChI=1S/C20H23N5O4/c1-2-3-12-23-18-16(19(26)22-20(23)27)24(14-6-4-5-7-14)17(21-18)13-8-10-15(11-9-13)25(28)29/h8-11,14H,2-7,12H2,1H3,(H,22,26,27)