8-(2-azanyl-4-chloranyl-phenyl)-1,3-bis(prop-2-enyl)-7H-purine-2,6-dione

Systemtic Name: 8-(2-azanyl-4-chloranyl-phenyl)-1,3-bis(prop-2-enyl)-7H-purine-2,6-dione Openeye Name: 1,3-diallyl-8-(2-amino-4-chloro-phenyl)-7H-purine-2,6-dione CAS Name: 8-(2-amino-4-chlorophenyl)-1,3-bis(prop-2-enyl)-7H-purine-2,6-dione IUPAC Name: 8-(2-amino-4-chlorophenyl)-1,3-bis(prop-2-enyl)-7H-purine-2,6-dione Traditional Name: 1,3-diallyl-8-(2-amino-4-chloro-phenyl)-7H-purine-2,6-quinone Formula: C17H16ClN5O2 MolecularWeight: 357.79424

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=O)N(C1=O)CC=C)NC(=N2)C3=C(C=C(C=C3)Cl)N

Isomeric SMILES

C=CCN1C2=C(C(=O)N(C1=O)CC=C)NC(=N2)C3=C(C=C(C=C3)Cl)N

InChI

InChI=1S/C17H16ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h3-6,9H,1-2,7-8,19H2,(H,20,21)