3-(3-chlorophenyl)-1-prop-2-enyl-7H-purine-2,6-dione

Systemtic Name: 3-(3-chlorophenyl)-1-prop-2-enyl-7H-purine-2,6-dione Openeye Name: 1-allyl-3-(3-chlorophenyl)-7H-purine-2,6-dione CAS Name: 3-(3-chlorophenyl)-1-prop-2-enyl-7H-purine-2,6-dione IUPAC Name: 3-(3-chlorophenyl)-1-prop-2-enyl-7H-purine-2,6-dione Traditional Name: 1-allyl-3-(3-chlorophenyl)-7H-purine-2,6-quinone Formula: C14H11ClN4O2 MolecularWeight: 302.71574

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H11ClN4O2/c1-2-6-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-4-9(15)7-10/h2-5,7-8H,1,6H2,(H,16,17)