6-ethyl-5-phenethyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 6-ethyl-5-phenethyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 6-ethyl-5-phenethyl-4-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 6-ethyl-5-phenethyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile IUPAC Name: 6-ethyl-5-phenethyl-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 6-ethyl-5-phenethyl-4-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C17H16N4S MolecularWeight: 308.40074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CCC3=CC=CC=C3)C(=S)N=CN2)C#N

Isomeric SMILES

CCC1=C(C2=C(N1CCC3=CC=CC=C3)C(=S)N=CN2)C#N

InChI

InChI=1S/C17H16N4S/c1-2-14-13(10-18)15-16(17(22)20-11-19-15)21(14)9-8-12-6-4-3-5-7-12/h3-7,11H,2,8-9H2,1H3,(H,19,20,22)