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

Systemtic Name: 7-methyl-1,3-dipropyl-8-[(E)-1-thiophen-3-ylprop-1-en-2-yl]purine-2,6-dione Openeye Name: 7-methyl-8-[(E)-1-methyl-2-(3-thienyl)vinyl]-1,3-dipropyl-purine-2,6-dione CAS Name: 7-methyl-1,3-dipropyl-8-[(E)-1-(3-thiophenyl)prop-1-en-2-yl]purine-2,6-dione IUPAC Name: 7-methyl-1,3-dipropyl-8-[(E)-1-thiophen-3-ylprop-1-en-2-yl]purine-2,6-dione Traditional Name: 7-methyl-8-[(E)-1-methyl-2-(3-thienyl)vinyl]-1,3-dipropyl-xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-5-8-22-17-15(18(24)23(9-6-2)19(22)25)21(4)16(20-17)13(3)11-14-7-10-26-12-14/h7,10-12H,5-6,8-9H2,1-4H3/b13-11+