1-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[4-[2-cyanoethyl(2-furylmethyl)amino]pyrimidin-5-yl]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[4-[2-cyanoethyl(2-furanylmethyl)amino]-5-pyrimidinyl]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[4-[2-cyanoethyl(2-furfuryl)amino]pyrimidin-5-yl]-3-(tetrahydrofurfuryl)thiourea Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NC2=CN=CN=C2N(CCC#N)CC3=CC=CO3

Isomeric SMILES

C1CC(OC1)CNC(=S)NC2=CN=CN=C2N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C18H22N6O2S/c19-6-3-7-24(12-15-5-2-9-26-15)17-16(11-20-13-22-17)23-18(27)21-10-14-4-1-8-25-14/h2,5,9,11,13-14H,1,3-4,7-8,10,12H2,(H2,21,23,27)