4-azanyl-2-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-hydroxy-3-(2-naphthyloxy)propyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-hydroxy-3-(2-naphthalenyloxy)propyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-hydroxy-3-(2-naphthoxy)propyl]thio]pyrimidine-5-carbonitrile Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC(CSC3=NC=C(C(=N3)N)C#N)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCC(CSC3=NC=C(C(=N3)N)C#N)O

InChI

InChI=1S/C18H16N4O2S/c19-8-14-9-21-18(22-17(14)20)25-11-15(23)10-24-16-6-5-12-3-1-2-4-13(12)7-16/h1-7,9,15,23H,10-11H2,(H2,20,21,22)