2-[[6-cyclopentyl-1-(furan-2-ylmethyl)-4-oxidanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-2-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[6-cyclopentyl-1-(furan-2-ylmethyl)-4-oxidanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[6-cyclopentyl-1-(2-furylmethyl)-4-oxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[6-cyclopentyl-1-(2-furanylmethyl)-4-oxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-2-yl]thio]acetonitrile IUPAC Name: 2-[[6-cyclopentyl-1-(furan-2-ylmethyl)-4-oxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[6-cyclopentyl-1-(2-furfuryl)-4-keto-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-2-yl]thio]acetonitrile Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CC3=C(NC2)N(C(=NC3=O)SCC#N)CC4=CC=CO4

Isomeric SMILES

C1CCC(C1)N2CC3=C(NC2)N(C(=NC3=O)SCC#N)CC4=CC=CO4

InChI

InChI=1S/C18H21N5O2S/c19-7-9-26-18-21-17(24)15-11-22(13-4-1-2-5-13)12-20-16(15)23(18)10-14-6-3-8-25-14/h3,6,8,13,20H,1-2,4-5,9-12H2