7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-methyl-8-[(E)-2-(3-nitrophenyl)vinyl]-1,3-dipropyl-purine-2,6-dione CAS Name: 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione Traditional Name: 7-methyl-8-[(E)-2-(3-nitrophenyl)vinyl]-1,3-dipropyl-xanthine Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N5O4/c1-4-11-23-18-17(19(26)24(12-5-2)20(23)27)22(3)16(21-18)10-9-14-7-6-8-15(13-14)25(28)29/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+