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

Systemtic Name: 7-methyl-1,3-dipropyl-8-[(E)-2-thiophen-3-ylethenyl]purine-2,6-dione Openeye Name: 7-methyl-1,3-dipropyl-8-[(E)-2-(3-thienyl)vinyl]purine-2,6-dione CAS Name: 7-methyl-1,3-dipropyl-8-[(E)-2-(3-thiophenyl)ethenyl]purine-2,6-dione IUPAC Name: 7-methyl-1,3-dipropyl-8-[(E)-2-thiophen-3-ylethenyl]purine-2,6-dione Traditional Name: 7-methyl-1,3-dipropyl-8-[(E)-2-(3-thienyl)vinyl]xanthine Formula: C18H22N4O2S MolecularWeight: 358.45788

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-4-9-21-16-15(17(23)22(10-5-2)18(21)24)20(3)14(19-16)7-6-13-8-11-25-12-13/h6-8,11-12H,4-5,9-10H2,1-3H3/b7-6+