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

Systemtic Name: 1-(phenylmethyl)-5-sulfanylidene-7-[(E)-2-thiophen-2-ylethenyl]-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-benzyl-7-[(E)-2-(2-thienyl)vinyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1-(phenylmethyl)-5-sulfanylidene-7-[(E)-2-thiophen-2-ylethenyl]-8H-pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1-benzyl-5-sulfanylidene-7-[(E)-2-thiophen-2-ylethenyl]-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-benzyl-7-[(E)-2-(2-thienyl)vinyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H14N4O2S2 MolecularWeight: 394.47006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(=S)N=C(N3)C=CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(=S)N=C(N3)/C=C/C4=CC=CS4

InChI

InChI=1S/C19H14N4O2S2/c24-17-15-16(23(19(25)22-17)11-12-5-2-1-3-6-12)20-14(21-18(15)26)9-8-13-7-4-10-27-13/h1-10H,11H2,(H,20,21,26)(H,22,24,25)/b9-8+