7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidine-5-thione

Systemtic Name: 7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidine-5-thione Openeye Name: 7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidine-5-thione CAS Name: 7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidine-5-thione IUPAC Name: 7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidine-5-thione Traditional Name: 7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidine-5-thione Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=S)C2=CN=C(N=C2N1)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC(=S)C2=CN=C(N=C2N1)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4S/c1-2-3-9-13-18-15-12(16(21)19-13)10-17-14(20-15)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18,19,20,21)