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

Systemtic Name: 1,3-dipropyl-8-[(E)-1-thiophen-3-ylprop-1-en-2-yl]-7H-purine-2,6-dione Openeye Name: 8-[(E)-1-methyl-2-(3-thienyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[(E)-1-(3-thiophenyl)prop-1-en-2-yl]-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[(E)-1-thiophen-3-ylprop-1-en-2-yl]-7H-purine-2,6-dione Traditional Name: 8-[(E)-1-methyl-2-(3-thienyl)vinyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(=CC3=CSC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-4-7-21-16-14(17(23)22(8-5-2)18(21)24)19-15(20-16)12(3)10-13-6-9-25-11-13/h6,9-11H,4-5,7-8H2,1-3H3,(H,19,20)/b12-10+