1-butyl-5-sulfanylidene-7-[(E)-2-thiophen-2-ylethenyl]-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1-butyl-5-sulfanylidene-7-[(E)-2-thiophen-2-ylethenyl]-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-butyl-7-[(E)-2-(2-thienyl)vinyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1-butyl-5-sulfanylidene-7-[(E)-2-thiophen-2-ylethenyl]-8H-pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1-butyl-5-sulfanylidene-7-[(E)-2-thiophen-2-ylethenyl]-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-butyl-7-[(E)-2-(2-thienyl)vinyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)C(=S)N=C(N2)C=CC3=CC=CS3

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)C(=S)N=C(N2)/C=C/C3=CC=CS3

InChI

InChI=1S/C16H16N4O2S2/c1-2-3-8-20-13-12(14(21)19-16(20)22)15(23)18-11(17-13)7-6-10-5-4-9-24-10/h4-7,9H,2-3,8H2,1H3,(H,17,18,23)(H,19,21,22)/b7-6+