8-chloranyl-3-methyl-7-(3-methylbut-2-enyl)-1-[2-(2-nitrophenyl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-3-methyl-7-(3-methylbut-2-enyl)-1-[2-(2-nitrophenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-chloro-3-methyl-7-(3-methylbut-2-enyl)-1-[2-(2-nitrophenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-chloro-3-methyl-7-(3-methylbut-2-enyl)-1-[2-(2-nitrophenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-chloro-3-methyl-7-(3-methylbut-2-enyl)-1-[2-(2-nitrophenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-chloro-1-[2-keto-2-(2-nitrophenyl)ethyl]-3-methyl-7-(3-methylbut-2-enyl)xanthine Formula: C19H18ClN5O5 MolecularWeight: 431.82972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3[N+](=O)[O-])C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C19H18ClN5O5/c1-11(2)8-9-23-15-16(21-18(23)20)22(3)19(28)24(17(15)27)10-14(26)12-6-4-5-7-13(12)25(29)30/h4-8H,9-10H2,1-3H3