1,3-dipropyl-8-[(E)-2-thiophen-2-ylethenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dipropyl-8-[(E)-2-thiophen-2-ylethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[(E)-2-(2-thienyl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[(E)-2-thiophen-2-ylethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[(E)-2-thiophen-2-ylethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[(E)-2-(2-thienyl)vinyl]-7H-purine-2,6-quinone Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C=CC3=CC=CS3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CC=CS3

InChI

InChI=1S/C17H20N4O2S/c1-3-9-20-15-14(16(22)21(10-4-2)17(20)23)18-13(19-15)8-7-12-6-5-11-24-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)/b8-7+