1-(furan-2-ylmethyl)-6-(phenylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 1-(furan-2-ylmethyl)-6-(phenylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-benzyl-1-(2-furylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-(2-furanylmethyl)-6-(phenylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-benzyl-1-(furan-2-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-benzyl-1-(2-furfuryl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NCN1CC3=CC=CC=C3)N(C(=S)NC2=O)CC4=CC=CO4

Isomeric SMILES

C1C2=C(NCN1CC3=CC=CC=C3)N(C(=S)NC2=O)CC4=CC=CO4

InChI

InChI=1S/C18H18N4O2S/c23-17-15-11-21(9-13-5-2-1-3-6-13)12-19-16(15)22(18(25)20-17)10-14-7-4-8-24-14/h1-8,19H,9-12H2,(H,20,23,25)