6-propyl-1-(2-pyridin-2-ylethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-propyl-1-(2-pyridin-2-ylethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-propyl-1-[2-(2-pyridyl)ethyl]-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-propyl-1-[2-(2-pyridinyl)ethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-propyl-1-(2-pyridin-2-ylethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-propyl-1-[2-(2-pyridyl)ethyl]-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(NC1)N(C(=S)NC2=O)CCC3=CC=CC=N3

Isomeric SMILES

CCCN1CC2=C(NC1)N(C(=S)NC2=O)CCC3=CC=CC=N3

InChI

InChI=1S/C16H21N5OS/c1-2-8-20-10-13-14(18-11-20)21(16(23)19-15(13)22)9-6-12-5-3-4-7-17-12/h3-5,7,18H,2,6,8-11H2,1H3,(H,19,22,23)