8-[(E)-2-phenylethenyl]-3-propyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 8-[(E)-2-phenylethenyl]-3-propyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 3-propyl-8-[(E)-styryl]-6-thioxo-7H-purin-2-one CAS Name: 8-[(E)-2-phenylethenyl]-3-propyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-[(E)-2-phenylethenyl]-3-propyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-propyl-8-[(E)-styryl]-6-thioxo-7H-purin-2-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=S)NC1=O)NC(=N2)C=CC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=S)NC1=O)NC(=N2)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C16H16N4OS/c1-2-10-20-14-13(15(22)19-16(20)21)17-12(18-14)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,17,18)(H,19,21,22)/b9-8+